[4-[(E)-3-(2,4-dimethoxyphenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3-nitrobenzoate

Systemtic Name: [4-[(E)-3-(2,4-dimethoxyphenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3-nitrobenzoate Openeye Name: [4-[(E)-3-(2,4-dimethoxyphenyl)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(E)-3-(2,4-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-(2,4-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(E)-3-(2,4-dimethoxyphenyl)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C25H21NO8 MolecularWeight: 463.43614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C25H21NO8/c1-31-19-9-10-20(23(15-19)32-2)21(27)11-7-16-8-12-22(24(13-16)33-3)34-25(28)17-5-4-6-18(14-17)26(29)30/h4-15H,1-3H3/b11-7+