(1-oxidanylidene-1-phenyl-butan-2-yl) 2-(3-nitrophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenyl-butan-2-yl) 2-(3-nitrophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 1-benzoylpropyl 2-(3-nitrophenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-nitrophenyl)-1,3-dioxo-5-isoindolecarboxylic acid (1-oxo-1-phenylbutan-2-yl) ester IUPAC Name: (1-oxo-1-phenylbutan-2-yl) 2-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(3-nitrophenyl)isoindoline-5-carboxylic acid 1-benzoylpropyl ester Formula: C25H18N2O7 MolecularWeight: 458.41962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H18N2O7/c1-2-21(22(28)15-7-4-3-5-8-15)34-25(31)16-11-12-19-20(13-16)24(30)26(23(19)29)17-9-6-10-18(14-17)27(32)33/h3-14,21H,2H2,1H3