[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 2-(1,3-dioxoisoindolin-2-yl)hexanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)hexanoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)hexanoate Traditional Name: 2-phthalimidohexanoic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C22H20N2O7 MolecularWeight: 424.4034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OCC(=O)C1=CC=C(C=C1)[N+](=O)[O-])N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCC(C(=O)OCC(=O)C1=CC=C(C=C1)[N+](=O)[O-])N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H20N2O7/c1-2-3-8-18(23-20(26)16-6-4-5-7-17(16)21(23)27)22(28)31-13-19(25)14-9-11-15(12-10-14)24(29)30/h4-7,9-12,18H,2-3,8,13H2,1H3