ethyl 1-(3-chlorophenyl)-5-cyano-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(3-chlorophenyl)-5-cyano-pyrazole-4-carboxylate Openeye Name: ethyl 1-(3-chlorophenyl)-5-cyano-pyrazole-4-carboxylate CAS Name: 1-(3-chlorophenyl)-5-cyano-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-chlorophenyl)-5-cyanopyrazole-4-carboxylate Traditional Name: 1-(3-chlorophenyl)-5-cyano-pyrazole-4-carboxylic acid ethyl ester Formula: C13H10ClN3O2 MolecularWeight: 275.6904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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