methyl 1-(4-methylphenyl)-2,3-bis(oxidanylidene)-4-phenyl-5,10-dihydropyrrolo[2,3-b][1,5]benzodiazepine-10a-carboxylate

Systemtic Name: methyl 1-(4-methylphenyl)-2,3-bis(oxidanylidene)-4-phenyl-5,10-dihydropyrrolo[2,3-b][1,5]benzodiazepine-10a-carboxylate Openeye Name: methyl 2,3-dioxo-4-phenyl-1-(p-tolyl)-5,10-dihydropyrrolo[2,3-b][1,5]benzodiazepine-10a-carboxylate CAS Name: 1-(4-methylphenyl)-2,3-dioxo-4-phenyl-5,10-dihydropyrrolo[2,3-b][1,5]benzodiazepine-10a-carboxylic acid methyl ester IUPAC Name: methyl 1-(4-methylphenyl)-2,3-dioxo-4-phenyl-5,10-dihydropyrrolo[2,3-b][1,5]benzodiazepine-10a-carboxylate Traditional Name: 2,3-diketo-4-phenyl-1-(p-tolyl)-5,10-dihydropyrrolo[2,3-b][1,5]benzodiazepine-10a-carboxylic acid methyl ester Formula: C26H21N3O4 MolecularWeight: 439.46264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=O)C3=C(NC4=CC=CC=C4NC32C(=O)OC)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=O)C3=C(NC4=CC=CC=C4NC32C(=O)OC)C5=CC=CC=C5

InChI

InChI=1S/C26H21N3O4/c1-16-12-14-18(15-13-16)29-24(31)23(30)21-22(17-8-4-3-5-9-17)27-19-10-6-7-11-20(19)28-26(21,29)25(32)33-2/h3-15,27-28H,1-2H3