ethyl 8-methoxy-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-2-oxidanylidene-1,5-dihydro-1,5-benzodiazepine-4-carboxylate

Systemtic Name: ethyl 8-methoxy-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-2-oxidanylidene-1,5-dihydro-1,5-benzodiazepine-4-carboxylate Openeye Name: ethyl 8-methoxy-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-2-oxo-1,5-dihydro-1,5-benzodiazepine-4-carboxylate CAS Name: 8-methoxy-3-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-2-oxo-1,5-dihydro-1,5-benzodiazepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 8-methoxy-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-2-oxo-1,5-dihydro-1,5-benzodiazepine-4-carboxylate Traditional Name: 2-keto-8-methoxy-3-[[4-(4-nitrophenyl)piperazino]methyl]-1,5-dihydro-1,5-benzodiazepine-4-carboxylic acid ethyl ester Formula: C24H27N5O6 MolecularWeight: 481.50108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)NC2=C(N1)C=CC(=C2)OC)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C(=O)NC2=C(N1)C=CC(=C2)OC)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H27N5O6/c1-3-35-24(31)22-19(23(30)26-21-14-18(34-2)8-9-20(21)25-22)15-27-10-12-28(13-11-27)16-4-6-17(7-5-16)29(32)33/h4-9,14,25H,3,10-13,15H2,1-2H3,(H,26,30)