ethyl 2-(3-chlorophenyl)-4-cyano-pyrazole-3-carboxylate

Systemtic Name: ethyl 2-(3-chlorophenyl)-4-cyano-pyrazole-3-carboxylate Openeye Name: ethyl 2-(3-chlorophenyl)-4-cyano-pyrazole-3-carboxylate CAS Name: 2-(3-chlorophenyl)-4-cyano-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-chlorophenyl)-4-cyanopyrazole-3-carboxylate Traditional Name: 2-(3-chlorophenyl)-4-cyano-pyrazole-3-carboxylic acid ethyl ester Formula: C13H10ClN3O2 MolecularWeight: 275.6904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1C2=CC(=CC=C2)Cl)C#N

Isomeric SMILES

CCOC(=O)C1=C(C=NN1C2=CC(=CC=C2)Cl)C#N

InChI

InChI=1S/C13H10ClN3O2/c1-2-19-13(18)12-9(7-15)8-16-17(12)11-5-3-4-10(14)6-11/h3-6,8H,2H2,1H3