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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O2/c1-11(2)22-16(21)14-10-20(9-3-8-18)19-15(14)12-4-6-13(17)7-5-12/h4-7,10-11H,3,9H2,1-2H3