propan-2-yl 3-(2-cyanoethanoyl)-2-fluoranyl-benzoate

Systemtic Name: propan-2-yl 3-(2-cyanoethanoyl)-2-fluoranyl-benzoate Openeye Name: isopropyl 3-(2-cyanoacetyl)-2-fluoro-benzoate CAS Name: 3-(2-cyano-1-oxoethyl)-2-fluorobenzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(2-cyanoacetyl)-2-fluorobenzoate Traditional Name: 3-(2-cyanoacetyl)-2-fluoro-benzoic acid isopropyl ester Formula: C13H12FNO3 MolecularWeight: 249.237683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=CC(=C1F)C(=O)CC#N

Isomeric SMILES

CC(C)OC(=O)C1=CC=CC(=C1F)C(=O)CC#N

InChI

InChI=1S/C13H12FNO3/c1-8(2)18-13(17)10-5-3-4-9(12(10)14)11(16)6-7-15/h3-5,8H,6H2,1-2H3