1,4-dimethyl-2-(3-nitrophenyl)-2,5-dihydro-1,5-benzodiazepine-3-carboxylic acid

Systemtic Name: 1,4-dimethyl-2-(3-nitrophenyl)-2,5-dihydro-1,5-benzodiazepine-3-carboxylic acid Openeye Name: 1,4-dimethyl-2-(3-nitrophenyl)-2,5-dihydro-1,5-benzodiazepine-3-carboxylic acid CAS Name: 1,4-dimethyl-2-(3-nitrophenyl)-2,5-dihydro-1,5-benzodiazepine-3-carboxylic acid IUPAC Name: 1,4-dimethyl-2-(3-nitrophenyl)-2,5-dihydro-1,5-benzodiazepine-3-carboxylic acid Traditional Name: 1,4-dimethyl-2-(3-nitrophenyl)-2,5-dihydro-1,5-benzodiazepine-3-carboxylic acid Formula: C18H17N3O4 MolecularWeight: 339.34528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C2=CC=CC=C2N1)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(N(C2=CC=CC=C2N1)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H17N3O4/c1-11-16(18(22)23)17(12-6-5-7-13(10-12)21(24)25)20(2)15-9-4-3-8-14(15)19-11/h3-10,17,19H,1-2H3,(H,22,23)