6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexyl (E)-5-(2-nitrophenyl)-3-oxidanylidene-pent-4-enoate

Systemtic Name: 6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexyl (E)-5-(2-nitrophenyl)-3-oxidanylidene-pent-4-enoate Openeye Name: 6-(1,3-dioxoisoindolin-2-yl)hexyl (E)-5-(2-nitrophenyl)-3-oxo-pent-4-enoate CAS Name: (E)-5-(2-nitrophenyl)-3-oxo-4-pentenoic acid 6-(1,3-dioxo-2-isoindolyl)hexyl ester IUPAC Name: 6-(1,3-dioxoisoindol-2-yl)hexyl (E)-5-(2-nitrophenyl)-3-oxopent-4-enoate Traditional Name: (E)-3-keto-5-(2-nitrophenyl)pent-4-enoic acid 6-phthalimidohexyl ester Formula: C25H24N2O7 MolecularWeight: 464.46726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC(=O)CC(=O)OCCCCCCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/C(=O)CC(=O)OCCCCCCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

InChI

InChI=1S/C25H24N2O7/c28-19(14-13-18-9-3-6-12-22(18)27(32)33)17-23(29)34-16-8-2-1-7-15-26-24(30)20-10-4-5-11-21(20)25(26)31/h3-6,9-14H,1-2,7-8,15-17H2/b14-13+