[4-cyano-3,5-bis(fluoranyl)phenyl] 2-ethylbenzoate

Systemtic Name: [4-cyano-3,5-bis(fluoranyl)phenyl] 2-ethylbenzoate Openeye Name: (4-cyano-3,5-difluoro-phenyl) 2-ethylbenzoate CAS Name: 2-ethylbenzoic acid (4-cyano-3,5-difluorophenyl) ester IUPAC Name: (4-cyano-3,5-difluorophenyl) 2-ethylbenzoate Traditional Name: 2-ethylbenzoic acid (4-cyano-3,5-difluoro-phenyl) ester Formula: C16H11F2NO2 MolecularWeight: 287.260846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(=O)OC2=CC(=C(C(=C2)F)C#N)F

Isomeric SMILES

CCC1=CC=CC=C1C(=O)OC2=CC(=C(C(=C2)F)C#N)F

InChI

InChI=1S/C16H11F2NO2/c1-2-10-5-3-4-6-12(10)16(20)21-11-7-14(17)13(9-19)15(18)8-11/h3-8H,2H2,1H3