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

Systemtic Name: 1-ethanoyl-4-methyl-2-(3-nitrophenyl)-2,5-dihydro-1,5-benzodiazepine-3-carboxylic acid Openeye Name: 1-acetyl-4-methyl-2-(3-nitrophenyl)-2,5-dihydro-1,5-benzodiazepine-3-carboxylic acid CAS Name: 1-acetyl-4-methyl-2-(3-nitrophenyl)-2,5-dihydro-1,5-benzodiazepine-3-carboxylic acid IUPAC Name: 1-acetyl-4-methyl-2-(3-nitrophenyl)-2,5-dihydro-1,5-benzodiazepine-3-carboxylic acid Traditional Name: 1-acetyl-4-methyl-2-(3-nitrophenyl)-2,5-dihydro-1,5-benzodiazepine-3-carboxylic acid Formula: C19H17N3O5 MolecularWeight: 367.35538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O5/c1-11-17(19(24)25)18(13-6-5-7-14(10-13)22(26)27)21(12(2)23)16-9-4-3-8-15(16)20-11/h3-10,18,20H,1-2H3,(H,24,25)