[4-[(Z)-2-cyano-2-pyridin-2-yl-ethenyl]-2-methoxy-phenyl] 2-fluoranylbenzoate

Systemtic Name: [4-[(Z)-2-cyano-2-pyridin-2-yl-ethenyl]-2-methoxy-phenyl] 2-fluoranylbenzoate Openeye Name: [4-[(Z)-2-cyano-2-(2-pyridyl)vinyl]-2-methoxy-phenyl] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [4-[(Z)-2-cyano-2-(2-pyridinyl)ethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(Z)-2-cyano-2-pyridin-2-ylethenyl]-2-methoxyphenyl] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [4-[(Z)-2-cyano-2-(2-pyridyl)vinyl]-2-methoxy-phenyl] ester Formula: C22H15FN2O3 MolecularWeight: 374.364503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=CC=CC=N2)OC(=O)C3=CC=CC=C3F

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C2=CC=CC=N2)OC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H15FN2O3/c1-27-21-13-15(12-16(14-24)19-8-4-5-11-25-19)9-10-20(21)28-22(26)17-6-2-3-7-18(17)23/h2-13H,1H3/b16-12+