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

Systemtic Name: [4-[(E)-2-cyano-3-(3-methylphenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 2-fluoranylbenzoate Openeye Name: [4-[(E)-2-cyano-3-(m-tolyl)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [4-[(E)-2-cyano-3-(3-methylphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(3-methylphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [4-[(E)-2-cyano-3-keto-3-(m-tolyl)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C25H18FNO4 MolecularWeight: 415.413123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C(=CC2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3F)OC)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)/C(=C/C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3F)OC)/C#N

InChI

InChI=1S/C25H18FNO4/c1-16-6-5-7-18(12-16)24(28)19(15-27)13-17-10-11-22(23(14-17)30-2)31-25(29)20-8-3-4-9-21(20)26/h3-14H,1-2H3/b19-13+