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

Systemtic Name: tert-butyl 3-(4-methylphenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Openeye Name: tert-butyl 5-hydroxy-3-(p-tolyl)-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate CAS Name: 5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Traditional Name: 5-hydroxy-3-(p-tolyl)-5-(trifluoromethyl)-2-pyrazoline-1-carboxylic acid tert-butyl ester Formula: C16H19F3N2O3 MolecularWeight: 344.32887

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)(C(F)(F)F)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(C2)(C(F)(F)F)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H19F3N2O3/c1-10-5-7-11(8-6-10)12-9-15(23,16(17,18)19)21(20-12)13(22)24-14(2,3)4/h5-8,23H,9H2,1-4H3