[4-[(E)-2-cyano-2-pyridin-2-yl-ethenyl]phenyl] 4-(trifluoromethyl)benzoate

Systemtic Name: [4-[(E)-2-cyano-2-pyridin-2-yl-ethenyl]phenyl] 4-(trifluoromethyl)benzoate Openeye Name: [4-[(E)-2-cyano-2-(2-pyridyl)vinyl]phenyl] 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid [4-[(E)-2-cyano-2-(2-pyridinyl)ethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-2-pyridin-2-ylethenyl]phenyl] 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid [4-[(E)-2-cyano-2-(2-pyridyl)vinyl]phenyl] ester Formula: C22H13F3N2O2 MolecularWeight: 394.34603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H13F3N2O2/c23-22(24,25)18-8-6-16(7-9-18)21(28)29-19-10-4-15(5-11-19)13-17(14-26)20-3-1-2-12-27-20/h1-13H/b17-13-