tert-butyl (3R)-5-(4-chlorophenyl)-3-oxidanyl-3-(trifluoromethyl)-1H-pyrazole-2-carboxylate

Systemtic Name: tert-butyl (3R)-5-(4-chlorophenyl)-3-oxidanyl-3-(trifluoromethyl)-1H-pyrazole-2-carboxylate Openeye Name: tert-butyl (3R)-5-(4-chlorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazole-2-carboxylate CAS Name: (3R)-5-(4-chlorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-5-(4-chlorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazole-2-carboxylate Traditional Name: (5R)-3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-3-pyrazoline-1-carboxylic acid tert-butyl ester Formula: C15H16ClF3N2O3 MolecularWeight: 364.74735

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@@](C=C(N1)C2=CC=C(C=C2)Cl)(C(F)(F)F)O

InChI

InChI=1S/C15H16ClF3N2O3/c1-13(2,3)24-12(22)21-14(23,15(17,18)19)8-11(20-21)9-4-6-10(16)7-5-9/h4-8,20,23H,1-3H3/t14-/m1/s1