[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 6-(1,3-dioxoisoindolin-2-yl)hexanoate CAS Name: 6-(1,3-dioxo-2-isoindolyl)hexanoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 6-(1,3-dioxoisoindol-2-yl)hexanoate Traditional Name: 6-phthalimidohexanoic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C22H20N2O7 MolecularWeight: 424.4034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCC(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCC(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O7/c25-19(15-7-6-8-16(13-15)24(29)30)14-31-20(26)11-2-1-5-12-23-21(27)17-9-3-4-10-18(17)22(23)28/h3-4,6-10,13H,1-2,5,11-12,14H2