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

Systemtic Name: methyl 1-(4-chlorophenyl)-4-cyano-pyrazole-3-carboxylate Openeye Name: methyl 1-(4-chlorophenyl)-4-cyano-pyrazole-3-carboxylate CAS Name: 1-(4-chlorophenyl)-4-cyano-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-chlorophenyl)-4-cyanopyrazole-3-carboxylate Traditional Name: 1-(4-chlorophenyl)-4-cyano-pyrazole-3-carboxylic acid methyl ester Formula: C12H8ClN3O2 MolecularWeight: 261.66382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8ClN3O2/c1-18-12(17)11-8(6-14)7-16(15-11)10-4-2-9(13)3-5-10/h2-5,7H,1H3