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

Systemtic Name: [4-[(E)-2-cyano-3-(3-methoxyphenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-fluoranylbenzoate Openeye Name: [4-[(E)-2-cyano-3-(3-methoxyphenyl)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [4-[(E)-2-cyano-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [4-[(E)-2-cyano-3-keto-3-(3-methoxyphenyl)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C25H18FNO5 MolecularWeight: 431.412523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C(=CC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)F)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C25H18FNO5/c1-30-21-5-3-4-18(14-21)24(28)19(15-27)12-16-6-11-22(23(13-16)31-2)32-25(29)17-7-9-20(26)10-8-17/h3-14H,1-2H3/b19-12+