[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-(3-quinoxalin-2-ylphenyl)isoindole-5-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-(3-quinoxalin-2-ylphenyl)isoindole-5-carboxylate Openeye Name: [2-(4-bromophenyl)-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-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-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-(4-bromophenyl)-2-keto-ethyl] ester Formula: C31H18BrN3O5 MolecularWeight: 592.39572

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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=C(C=C6)Br

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=C(C=C6)Br

InChI

InChI=1S/C31H18BrN3O5/c32-21-11-8-18(9-12-21)28(36)17-40-31(39)20-10-13-23-24(15-20)30(38)35(29(23)37)22-5-3-4-19(14-22)27-16-33-25-6-1-2-7-26(25)34-27/h1-16H,17H2