[4-[(E)-3-cyano-2-oxidanylidene-4-(3,4,5-trimethoxyphenyl)but-3-enyl]phenyl] 4-nitrobenzoate

Systemtic Name: [4-[(E)-3-cyano-2-oxidanylidene-4-(3,4,5-trimethoxyphenyl)but-3-enyl]phenyl] 4-nitrobenzoate Openeye Name: [4-[(E)-3-cyano-2-oxo-4-(3,4,5-trimethoxyphenyl)but-3-enyl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[(E)-3-cyano-2-oxo-4-(3,4,5-trimethoxyphenyl)but-3-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-cyano-2-oxo-4-(3,4,5-trimethoxyphenyl)but-3-enyl]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[(E)-3-cyano-2-keto-4-(3,4,5-trimethoxyphenyl)but-3-enyl]phenyl] ester Formula: C27H22N2O8 MolecularWeight: 502.47218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=C(C#N)C(=O)CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C(\C#N)/C(=O)CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H22N2O8/c1-34-24-14-18(15-25(35-2)26(24)36-3)12-20(16-28)23(30)13-17-4-10-22(11-5-17)37-27(31)19-6-8-21(9-7-19)29(32)33/h4-12,14-15H,13H2,1-3H3/b20-12+