[2-methoxy-4-(2-nitroethenyl)phenyl] 6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate

Systemtic Name: [2-methoxy-4-(2-nitroethenyl)phenyl] 6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate Openeye Name: [2-methoxy-4-(2-nitrovinyl)phenyl] 6-(1,3-dioxoisoindolin-2-yl)hexanoate CAS Name: 6-(1,3-dioxo-2-isoindolyl)hexanoic acid [2-methoxy-4-(2-nitroethenyl)phenyl] ester IUPAC Name: [2-methoxy-4-(2-nitroethenyl)phenyl] 6-(1,3-dioxoisoindol-2-yl)hexanoate Traditional Name: 6-phthalimidohexanoic acid [2-methoxy-4-(2-nitrovinyl)phenyl] ester Formula: C23H22N2O7 MolecularWeight: 438.42998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C[N+](=O)[O-])OC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC1=C(C=CC(=C1)C=C[N+](=O)[O-])OC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C23H22N2O7/c1-31-20-15-16(12-14-25(29)30)10-11-19(20)32-21(26)9-3-2-6-13-24-22(27)17-7-4-5-8-18(17)23(24)28/h4-5,7-8,10-12,14-15H,2-3,6,9,13H2,1H3