ethyl 5-(4-fluorophenyl)-3-oxidanyl-3-(trifluoromethyl)-1H-pyrazole-2-carboxylate

Systemtic Name: ethyl 5-(4-fluorophenyl)-3-oxidanyl-3-(trifluoromethyl)-1H-pyrazole-2-carboxylate Openeye Name: ethyl 5-(4-fluorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazole-2-carboxylate CAS Name: 5-(4-fluorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-fluorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazole-2-carboxylate Traditional Name: 3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-3-pyrazoline-1-carboxylic acid ethyl ester Formula: C13H12F4N2O3 MolecularWeight: 320.239593

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(C=C(N1)C2=CC=C(C=C2)F)(C(F)(F)F)O

Isomeric SMILES

CCOC(=O)N1C(C=C(N1)C2=CC=C(C=C2)F)(C(F)(F)F)O

InChI

InChI=1S/C13H12F4N2O3/c1-2-22-11(20)19-12(21,13(15,16)17)7-10(18-19)8-3-5-9(14)6-4-8/h3-7,18,21H,2H2,1H3