[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-(3-quinoxalin-2-ylphenyl)isoindole-5-carboxylate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-(3-quinoxalin-2-ylphenyl)isoindole-5-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 1,3-dioxo-2-(3-quinoxalin-2-ylphenyl)isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-[3-(2-quinoxalinyl)phenyl]-5-isoindolecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 1,3-dioxo-2-(3-quinoxalin-2-ylphenyl)isoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(3-quinoxalin-2-ylphenyl)isoindoline-5-carboxylic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C31H18N4O7 MolecularWeight: 558.49722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CC(=N2)C3=CC(=CC=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)C(=O)OCC(=O)C6=CC(=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=CC(=N2)C3=CC(=CC=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)C(=O)OCC(=O)C6=CC(=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C31H18N4O7/c36-28(19-6-4-8-22(14-19)35(40)41)17-42-31(39)20-11-12-23-24(15-20)30(38)34(29(23)37)21-7-3-5-18(13-21)27-16-32-25-9-1-2-10-26(25)33-27/h1-16H,17H2