[2-(trifluoromethyl)phenyl]methyl 4-cyanobenzoate

Systemtic Name: [2-(trifluoromethyl)phenyl]methyl 4-cyanobenzoate Openeye Name: [2-(trifluoromethyl)phenyl]methyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [2-(trifluoromethyl)phenyl]methyl 4-cyanobenzoate Traditional Name: 4-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=C(C=C2)C#N)C(F)(F)F

Isomeric SMILES

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

InChI

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