4-chloranyl-1-[2,2,2-tris(fluoranyl)ethyl]pyrazole-3-carboxylate

Systemtic Name: 4-chloranyl-1-[2,2,2-tris(fluoranyl)ethyl]pyrazole-3-carboxylate Openeye Name: 4-chloro-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate CAS Name: 4-chloro-1-(2,2,2-trifluoroethyl)-3-pyrazolecarboxylate IUPAC Name: 4-chloro-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate Traditional Name: 4-chloro-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate Formula: C6H3ClF3N2O2- MolecularWeight: 227.54843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=NN1CC(F)(F)F)C(=O)[O-])Cl

Isomeric SMILES

C1=C(C(=NN1CC(F)(F)F)C(=O)[O-])Cl

InChI

InChI=1S/C6H4ClF3N2O2/c7-3-1-12(2-6(8,9)10)11-4(3)5(13)14/h1H,2H2,(H,13,14)/p-1