tert-butyl 5-oxidanyl-3-phenyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate

Systemtic Name: tert-butyl 5-oxidanyl-3-phenyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Openeye Name: tert-butyl 5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate CAS Name: 5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Traditional Name: 5-hydroxy-3-phenyl-5-(trifluoromethyl)-2-pyrazoline-1-carboxylic acid tert-butyl ester Formula: C15H17F3N2O3 MolecularWeight: 330.30229

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17F3N2O3/c1-13(2,3)23-12(21)20-14(22,15(16,17)18)9-11(19-20)10-7-5-4-6-8-10/h4-8,22H,9H2,1-3H3