2-(2-cyanoethyl)-5-(4-fluorophenyl)pyrazole-3-carboxylate

Systemtic Name: 2-(2-cyanoethyl)-5-(4-fluorophenyl)pyrazole-3-carboxylate Openeye Name: 2-(2-cyanoethyl)-5-(4-fluorophenyl)pyrazole-3-carboxylate CAS Name: 2-(2-cyanoethyl)-5-(4-fluorophenyl)-3-pyrazolecarboxylate IUPAC Name: 2-(2-cyanoethyl)-5-(4-fluorophenyl)pyrazole-3-carboxylate Traditional Name: 2-(2-cyanoethyl)-5-(4-fluorophenyl)pyrazole-3-carboxylate Formula: C13H9FN3O2- MolecularWeight: 258.227863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C(=C2)C(=O)[O-])CCC#N)F

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C(=C2)C(=O)[O-])CCC#N)F

InChI

InChI=1S/C13H10FN3O2/c14-10-4-2-9(3-5-10)11-8-12(13(18)19)17(16-11)7-1-6-15/h2-5,8H,1,7H2,(H,18,19)/p-1