ethyl 7-nitro-2-oxidanylidene-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate

Systemtic Name: ethyl 7-nitro-2-oxidanylidene-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate Openeye Name: ethyl 7-nitro-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate CAS Name: 7-nitro-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 7-nitro-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate Traditional Name: 2-keto-7-nitro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylic acid ethyl ester Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC(=O)NC2=C(C1C3=CC=CC=C3)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CC(=O)NC2=C(C1C3=CC=CC=C3)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O5/c1-2-26-18(23)20-11-16(22)19-15-9-8-13(21(24)25)10-14(15)17(20)12-6-4-3-5-7-12/h3-10,17H,2,11H2,1H3,(H,19,22)