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

Systemtic Name: 3-(3-chlorophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylate Openeye Name: 3-(3-chlorophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylate CAS Name: 3-(3-chlorophenyl)-1-(2-cyanoethyl)-4-pyrazolecarboxylate IUPAC Name: 3-(3-chlorophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylate Traditional Name: 3-(3-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(=C1)Cl)C2=NN(C=C2C(=O)[O-])CCC#N

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C2=NN(C=C2C(=O)[O-])CCC#N

InChI

InChI=1S/C13H10ClN3O2/c14-10-4-1-3-9(7-10)12-11(13(18)19)8-17(16-12)6-2-5-15/h1,3-4,7-8H,2,6H2,(H,18,19)/p-1