[4-[(E)-2-pyridin-2-ylethenyl]phenyl] 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: [4-[(E)-2-pyridin-2-ylethenyl]phenyl] 3,5-bis(trifluoromethyl)benzoate Openeye Name: [4-[(E)-2-(2-pyridyl)vinyl]phenyl] 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid [4-[(E)-2-(2-pyridinyl)ethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-pyridin-2-ylethenyl]phenyl] 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid [4-[(E)-2-(2-pyridyl)vinyl]phenyl] ester Formula: C22H13F6NO2 MolecularWeight: 437.334539

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H13F6NO2/c23-21(24,25)16-11-15(12-17(13-16)22(26,27)28)20(30)31-19-8-5-14(6-9-19)4-7-18-3-1-2-10-29-18/h1-13H/b7-4+