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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1C#N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1=NN(C=C1C#N)C2=CC=C(C=C2)Cl

InChI

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