ethyl 6-(4-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

Systemtic Name: ethyl 6-(4-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Openeye Name: ethyl 6-(4-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate CAS Name: 6-(4-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Traditional Name: 6-(4-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester Formula: C20H16N4O4 MolecularWeight: 376.36544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CN=C(C3=CC=CC=C3N2C=N1)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C2CN=C(C3=CC=CC=C3N2C=N1)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O4/c1-2-28-20(25)19-17-11-21-18(13-7-9-14(10-8-13)24(26)27)15-5-3-4-6-16(15)23(17)12-22-19/h3-10,12H,2,11H2,1H3