methyl 1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazole-4-carboxylate

Systemtic Name: methyl 1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazole-4-carboxylate Openeye Name: methyl 1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazole-4-carboxylate CAS Name: 1-(2-cyanoethyl)-3-(4-fluorophenyl)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazole-4-carboxylate Traditional Name: 1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazole-4-carboxylic acid methyl ester Formula: C14H12FN3O2 MolecularWeight: 273.262383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(N=C1C2=CC=C(C=C2)F)CCC#N

Isomeric SMILES

COC(=O)C1=CN(N=C1C2=CC=C(C=C2)F)CCC#N

InChI

InChI=1S/C14H12FN3O2/c1-20-14(19)12-9-18(8-2-7-16)17-13(12)10-3-5-11(15)6-4-10/h3-6,9H,2,8H2,1H3