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

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 2-(3-butoxycarbonylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 2-(3-butoxycarbonylphenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-[3-[butoxy(oxo)methyl]phenyl]-1,3-dioxo-5-isoindolecarboxylic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 2-(3-butoxycarbonylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(3-butoxycarbonylphenyl)-1,3-diketo-isoindoline-5-carboxylic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C28H22N2O9 MolecularWeight: 530.48228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H22N2O9/c1-2-3-13-38-27(34)18-5-4-6-21(14-18)29-25(32)22-12-9-19(15-23(22)26(29)33)28(35)39-16-24(31)17-7-10-20(11-8-17)30(36)37/h4-12,14-15H,2-3,13,16H2,1H3