[4-[(E)-2-cyano-3-oxidanylidene-3-phenyl-prop-1-enyl]-2-methoxy-phenyl] 4-fluoranylbenzoate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-phenyl-prop-1-enyl]-2-methoxy-phenyl] 4-fluoranylbenzoate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-phenyl-prop-1-enyl]-2-methoxy-phenyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [4-[(E)-2-cyano-3-oxo-3-phenylprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-phenylprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [4-[(E)-2-cyano-3-keto-3-phenyl-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C24H16FNO4 MolecularWeight: 401.386543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H16FNO4/c1-29-22-14-16(13-19(15-26)23(27)17-5-3-2-4-6-17)7-12-21(22)30-24(28)18-8-10-20(25)11-9-18/h2-14H,1H3/b19-13+