propan-2-yl 3-(3-chlorophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylate

Systemtic Name: propan-2-yl 3-(3-chlorophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylate Openeye Name: isopropyl 3-(3-chlorophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylate CAS Name: 3-(3-chlorophenyl)-1-(2-cyanoethyl)-4-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(3-chlorophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylate Traditional Name: 3-(3-chlorophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylic acid isopropyl ester Formula: C16H16ClN3O2 MolecularWeight: 317.77014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CN(N=C1C2=CC(=CC=C2)Cl)CCC#N

Isomeric SMILES

CC(C)OC(=O)C1=CN(N=C1C2=CC(=CC=C2)Cl)CCC#N

InChI

InChI=1S/C16H16ClN3O2/c1-11(2)22-16(21)14-10-20(8-4-7-18)19-15(14)12-5-3-6-13(17)9-12/h3,5-6,9-11H,4,8H2,1-2H3