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

Systemtic Name: methyl 3-(4-fluorophenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Openeye Name: methyl 3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate CAS Name: 3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Traditional Name: 3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-2-pyrazoline-1-carboxylic acid methyl ester Formula: C12H10F4N2O3 MolecularWeight: 306.213013

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10F4N2O3/c1-21-10(19)18-11(20,12(14,15)16)6-9(17-18)7-2-4-8(13)5-3-7/h2-5,20H,6H2,1H3