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

Systemtic Name: 3-(4-chlorophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylate Openeye Name: 3-(4-chlorophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylate CAS Name: 3-(4-chlorophenyl)-1-(2-cyanoethyl)-4-pyrazolecarboxylate IUPAC Name: 3-(4-chlorophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylate Traditional Name: 3-(4-chlorophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylate Formula: C13H9ClN3O2- MolecularWeight: 274.68246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C=C2C(=O)[O-])CCC#N)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C=C2C(=O)[O-])CCC#N)Cl

InChI

InChI=1S/C13H10ClN3O2/c14-10-4-2-9(3-5-10)12-11(13(18)19)8-17(16-12)7-1-6-15/h2-5,8H,1,7H2,(H,18,19)/p-1