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Nitrobenzoic acids and derivatives

Organic compounds that consist of benzoic acid with a nitro group substitution; a nitro group has a nitrogen atom bonded to two oxygen groups in a single and a double bond. Includes compounds that are directly derived from nitrobenzoic acid.
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1 – 9 of 9 results
1

2',7'-Dichlorodihydrofluorescein Diacetate, TRC

CAS: 4091-99-0 Molecular Formula: C24H16Cl2O7 Molecular Weight (g/mol): 487.29 Synonym: 2-[3,6-Bis(acetyloxy)-2,7-dichloro-9H-xanthen-9-yl]benzoic Acid,o-(2,7-Dichloro-3,6-dihydroxyxanthen-9-yl)benzoic Acid Diacetate,2',7'-Dichlorodihydrofluorescein Diacetate,DCFH,H2DCFDA; SMILES: CC(=O)OC1=C(C=C2C(=C1)OC3=CC(=C(C=C3C2C4=CC=CC=C4C(=O)O)Cl)OC(=O)C)Cl

CAS 4091-99-0
Molecular Weight (g/mol) 487.29
SMILES CC(=O)OC1=C(C=C2C(=C1)OC3=CC(=C(C=C3C2C4=CC=CC=C4C(=O)O)Cl)OC(=O)C)Cl
Synonym 2-[3,6-Bis(acetyloxy)-2,7-dichloro-9H-xanthen-9-yl]benzoic Acid,o-(2,7-Dichloro-3,6-dihydroxyxanthen-9-yl)benzoic Acid Diacetate,2',7'-Dichlorodihydrofluorescein Diacetate,DCFH,H2DCFDA;
Molecular Formula C24H16Cl2O7
2

Ethyl 4-Nitrobenzoate, TRC

CAS: 99-77-4 Molecular Formula: C9 H9 N O4 Molecular Weight (g/mol): 195.17 Synonym: Ethyl 4-Nitrobenzoate,4-(Ethoxycarbonyl)nitrobenzene,4-Ethoxycarbonyl-1-nitrobenzene; IUPAC Name: ethyl 4-nitrobenzoate SMILES: CCOC(=O)c1ccc(cc1)[N+](=O)[O-]

CAS 99-77-4
Molecular Weight (g/mol) 195.17
SMILES CCOC(=O)c1ccc(cc1)[N+](=O)[O-]
Synonym Ethyl 4-Nitrobenzoate,4-(Ethoxycarbonyl)nitrobenzene,4-Ethoxycarbonyl-1-nitrobenzene;
IUPAC Name ethyl 4-nitrobenzoate
Molecular Formula C9 H9 N O4
3

3-Nitrosalicylic Acid, TRC

CAS: 85-38-1 Molecular Formula: C7 H5 N O5 Molecular Weight (g/mol): 183.12 Synonym: Salicylic acid, 3-nitro- (7CI,8CI),2-Hydroxy-3-nitrobenzoic acid,3-Nitrosalicylic acid,NSC 182 IUPAC Name: 2-hydroxy-3-nitrobenzoic acid SMILES: OC(=O)c1cccc(c1O)[N+](=O)[O-]

CAS 85-38-1
Molecular Weight (g/mol) 183.12
SMILES OC(=O)c1cccc(c1O)[N+](=O)[O-]
Synonym Salicylic acid, 3-nitro- (7CI,8CI),2-Hydroxy-3-nitrobenzoic acid,3-Nitrosalicylic acid,NSC 182
IUPAC Name 2-hydroxy-3-nitrobenzoic acid
Molecular Formula C7 H5 N O5
4

3,3'-Dithiobis[6-nitrobenzoic Acid], TRC

CAS: 69-78-3 Molecular Formula: C14H8N2O8S2 Molecular Weight (g/mol): 396.35 Synonym: 2,2'-Dinitro-5,5'-dithiodibenzoic Acid,3,3'-Dithiobis(6-nitrobenzoic Acid),5,5'-Dithiobis[2-nitrobenzoic Acid],Ba 2767,DTNB,Ellman’s Reagent IUPAC Name: 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid SMILES: OC(=O)c1cc(SSc2ccc(c(c2)C(=O)O)[N+](=O)[O-])ccc1[N+](=O)[O-]

CAS 69-78-3
Molecular Weight (g/mol) 396.35
SMILES OC(=O)c1cc(SSc2ccc(c(c2)C(=O)O)[N+](=O)[O-])ccc1[N+](=O)[O-]
Synonym 2,2'-Dinitro-5,5'-dithiodibenzoic Acid,3,3'-Dithiobis(6-nitrobenzoic Acid),5,5'-Dithiobis[2-nitrobenzoic Acid],Ba 2767,DTNB,Ellman’s Reagent
IUPAC Name 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid
Molecular Formula C14H8N2O8S2
5

5-Nitrobenzene-1,3-Dicarboxylic Acid, TRC

CAS: 618-88-2 Molecular Formula: C8 H5 N O6 Molecular Weight (g/mol): 211.13 Synonym: 5-Nitroisophtalic Acid,Glycopyrrolate Related Compound A (USP),5-Nitrobenzene-1,3-dicarboxylic acid,5-Nitro-isophthalic acid IUPAC Name: 5-nitrobenzene-1,3-dicarboxylic acid SMILES: OC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)O

CAS 618-88-2
Molecular Weight (g/mol) 211.13
SMILES OC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)O
Synonym 5-Nitroisophtalic Acid,Glycopyrrolate Related Compound A (USP),5-Nitrobenzene-1,3-dicarboxylic acid,5-Nitro-isophthalic acid
IUPAC Name 5-nitrobenzene-1,3-dicarboxylic acid
Molecular Formula C8 H5 N O6
6

2-Fluoro-3-nitrobenzoic Acid, TRC

CAS: 317-46-4 Molecular Formula: C7H4NO4F Molecular Weight (g/mol): 185.11 IUPAC Name: 2-fluoro-3-nitrobenzoic acid SMILES: OC(=O)c1cccc(c1F)[N+](=O)[O-]

CAS 317-46-4
Molecular Weight (g/mol) 185.11
SMILES OC(=O)c1cccc(c1F)[N+](=O)[O-]
IUPAC Name 2-fluoro-3-nitrobenzoic acid
Molecular Formula C7H4NO4F
8

Methyl 2-Nitro-4-(trifluoromethyl)benzoate, TRC

CAS: 228418-45-9 Molecular Formula: C9H6F3NO4 Molecular Weight (g/mol): 249.15 Synonym: 2-Nitro-4-trifluoromethylbenzoic Acid Methyl Ester,Methyl 2-Nitro-4-trifluoromethylbenzoate IUPAC Name: methyl 2-nitro-4-(trifluoromethyl)benzoate SMILES: COC(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F

CAS 228418-45-9
Molecular Weight (g/mol) 249.15
SMILES COC(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
Synonym 2-Nitro-4-trifluoromethylbenzoic Acid Methyl Ester,Methyl 2-Nitro-4-trifluoromethylbenzoate
IUPAC Name methyl 2-nitro-4-(trifluoromethyl)benzoate
Molecular Formula C9H6F3NO4