[2-(trifluoromethyl)phenyl]methyl 3-cyanobenzoate

Systemtic Name: [2-(trifluoromethyl)phenyl]methyl 3-cyanobenzoate Openeye Name: [2-(trifluoromethyl)phenyl]methyl 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [2-(trifluoromethyl)phenyl]methyl 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-(trifluoromethyl)benzyl] ester Formula: C16H10F3NO2 MolecularWeight: 305.25131

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)C2=CC=CC(=C2)C#N)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)C2=CC=CC(=C2)C#N)C(F)(F)F

InChI

InChI=1S/C16H10F3NO2/c17-16(18,19)14-7-2-1-5-13(14)10-22-15(21)12-6-3-4-11(8-12)9-20/h1-8H,10H2