phenacyl 1,3-bis(oxidanylidene)-2-(3-quinoxalin-2-ylphenyl)isoindole-5-carboxylate

Systemtic Name: phenacyl 1,3-bis(oxidanylidene)-2-(3-quinoxalin-2-ylphenyl)isoindole-5-carboxylate Openeye Name: phenacyl 1,3-dioxo-2-(3-quinoxalin-2-ylphenyl)isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-[3-(2-quinoxalinyl)phenyl]-5-isoindolecarboxylic acid phenacyl ester IUPAC Name: phenacyl 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 phenacyl ester Formula: C31H19N3O5 MolecularWeight: 513.49966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC(=C4)C5=NC6=CC=CC=C6N=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC(=C4)C5=NC6=CC=CC=C6N=C5

InChI

InChI=1S/C31H19N3O5/c35-28(19-7-2-1-3-8-19)18-39-31(38)21-13-14-23-24(16-21)30(37)34(29(23)36)22-10-6-9-20(15-22)27-17-32-25-11-4-5-12-26(25)33-27/h1-17H,18H2