[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-(4-propoxycarbonylphenyl)isoindole-5-carboxylate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-(4-propoxycarbonylphenyl)isoindole-5-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 1,3-dioxo-2-(4-propoxycarbonylphenyl)isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-[4-[oxo(propoxy)methyl]phenyl]-5-isoindolecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 1,3-dioxo-2-(4-propoxycarbonylphenyl)isoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(4-propoxycarbonylphenyl)isoindoline-5-carboxylic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C27H20N2O9 MolecularWeight: 516.4557

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H20N2O9/c1-2-12-37-26(33)16-6-9-19(10-7-16)28-24(31)21-11-8-18(14-22(21)25(28)32)27(34)38-15-23(30)17-4-3-5-20(13-17)29(35)36/h3-11,13-14H,2,12,15H2,1H3