Nitrobenzenes
Nitrodenafil, TRC
CAS: 147676-99-1 Molecular Formula: C17 H19 N5 O4 Molecular Weight (g/mol): 357.36 Synonym: 7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-(2-ethoxy-5-nitrophenyl)-1,6-dihydro-1-methyl-3-propyl-,7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-(2-ethoxy-5-nitrophenyl)-1,4-dihydro-1-methyl-3-propyl- (9CI),5-(2-Ethoxy-5-nitrophenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one,Nitrodenafil IUPAC Name: 5-(2-ethoxy-5-nitrophenyl)-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one SMILES: CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(ccc3OCC)[N+](=O)[O-]
Cinitapride, TRC
CAS: 66564-14-5 Molecular Formula: C21 H30 N4 O4 Molecular Weight (g/mol): 402.49 Synonym: 4-Amino-N-[1-(3-cyclohexen-1-ylmethyl)-4-piperidinyl]-2-ethoxy-5-nitrobenzamide,Cinitapride IUPAC Name: 4-amino-N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-2-ethoxy-5-nitrobenzamide SMILES: CCOc1cc(N)c(cc1C(=O)NC2CCN(CC3CCC=CC3)CC2)[N+](=O)[O-]
Cinitapride Tartrate, TRC
CAS: 96623-56-2 Molecular Formula: C21 H30 N4 O4 . C4 H6 O6 Molecular Weight (g/mol): 552.57 Synonym: Dihydroxybutanedioate,4-Amino-N-[1-(3-cyclohexen-1-ylmethyl)-4-piperidinyl]-2-ethoxy-5-nitrobenzamide [R-(R*,R*)]-2,3-Dihydroxybutanedioate,Blaston,Cidine,4-Amino-N-[1-(3-cyclohexen-1-ylmethyl)-4-piperidinyl]-2-ethoxy-5-nitrobenzamide (2R,3R)-2,3-dihydroxybutanedioate (1:1) IUPAC Name: 4-amino-N-[1-(cyclohex-3-en-1-ylmethyl)-4-piperidyl]-2-ethoxy-5-nitro-benzamide;(2R,3R)-2,3-dihydroxybutanedioic acid SMILES: CCOc1cc(N)c(cc1C(=O)NC2CCN(CC3CCC=CC3)CC2)[N+](=O)[O-].O[C@H]([C@@H](O)C(=O)O)C(=O)O
3-Nitrobenzaldehyde, TRC
CAS: 99-61-6 Molecular Formula: C7 H5 N O3 Molecular Weight (g/mol): 151.12 Synonym: Benzaldehyde, 3-nitro-,Benzaldehyde, m-nitro- (8CI),3-Nitrobenzaldehyde,3-Nitrobenzenecarboxaldehyde,3-Nitrophenylcarboxaldehyde,5-Nitrobenzaldehyde,NSC 5504,m-Nitrobenzaldehyde,m-Nitrobenzaldehyde IUPAC Name: 3-nitrobenzaldehyde SMILES: [O-][N+](=O)c1cccc(C=O)c1
3-(Difluoromethoxy)nitrobenzene, TRC
CAS: 22236-07-3 Molecular Formula: C7H5NO3F2 Molecular Weight (g/mol): 189.11 Synonym: 1-(Difluoromethoxy)-3-nitrobenzene; IUPAC Name: 1-(difluoromethoxy)-3-nitrobenzene SMILES: [O-][N+](=O)c1cccc(OC(F)F)c1
Permanent Yellow Rn, TRC
CAS: 6528-34-3 Molecular Formula: C18H18N4O6 Molecular Weight (g/mol): 386.36 IUPAC Name: 2-[(E)-(4-methoxy-2-nitrophenyl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide SMILES: COc1ccc(N=NC(C(=O)C)C(=O)Nc2ccccc2OC)c(c1)[N+](=O)[O-]
4-Methyl-2-nitroanisole, TRC
CAS: 119-10-8 Molecular Formula: C8 H9 N O3 Molecular Weight (g/mol): 167.16 Synonym: Benzene, 1-methoxy-4-methyl-2-nitro-,Anisole, 4-methyl-2-nitro- (6CI,7CI,8CI),1-Methoxy-4-methyl-2-nitrobenzene,2-Nitro-4-methylanisole,4-Methoxy-3-nitrotoluene,4-Methyl-2-nitroanisole IUPAC Name: 1-methoxy-4-methyl-2-nitrobenzene SMILES: COc1ccc(C)cc1[N+](=O)[O-]