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

Systemtic Name: ethyl 7-nitro-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate Openeye Name: ethyl 7-nitro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate CAS Name: 7-nitro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-nitro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate Traditional Name: 2-keto-7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid ethyl ester Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3

InChI

InChI=1S/C18H15N3O5/c1-2-26-18(23)16-17(22)19-14-9-8-12(21(24)25)10-13(14)15(20-16)11-6-4-3-5-7-11/h3-10,16H,2H2,1H3,(H,19,22)