ethyl 5-methyl-8-nitro-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

Systemtic Name: ethyl 5-methyl-8-nitro-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Openeye Name: ethyl 5-methyl-8-nitro-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate CAS Name: 5-methyl-8-nitro-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-8-nitro-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Traditional Name: 6-keto-5-methyl-8-nitro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester Formula: C15H14N4O5 MolecularWeight: 330.29546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C15H14N4O5/c1-3-24-15(21)13-12-7-17(2)14(20)10-6-9(19(22)23)4-5-11(10)18(12)8-16-13/h4-6,8H,3,7H2,1-2H3