(3-cyanophenyl)methyl 2-[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]ethanoate

Systemtic Name: (3-cyanophenyl)methyl 2-[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]ethanoate Openeye Name: (3-cyanophenyl)methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridyl]acetate CAS Name: 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetate Traditional Name: 2-[2-keto-5-(trifluoromethyl)-1-pyridyl]acetic acid (3-cyanobenzyl) ester Formula: C16H11F3N2O3 MolecularWeight: 336.26535

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC(=O)CN2C=C(C=CC2=O)C(F)(F)F)C#N

Isomeric SMILES

C1=CC(=CC(=C1)COC(=O)CN2C=C(C=CC2=O)C(F)(F)F)C#N

InChI

InChI=1S/C16H11F3N2O3/c17-16(18,19)13-4-5-14(22)21(8-13)9-15(23)24-10-12-3-1-2-11(6-12)7-20/h1-6,8H,9-10H2