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

Systemtic Name: tert-butyl 3-(4-ethylphenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Openeye Name: tert-butyl 3-(4-ethylphenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate CAS Name: 3-(4-ethylphenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-ethylphenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Traditional Name: 3-(4-ethylphenyl)-5-hydroxy-5-(trifluoromethyl)-2-pyrazoline-1-carboxylic acid tert-butyl ester Formula: C17H21F3N2O3 MolecularWeight: 358.35545

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C(C2)(C(F)(F)F)O)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C(C2)(C(F)(F)F)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H21F3N2O3/c1-5-11-6-8-12(9-7-11)13-10-16(24,17(18,19)20)22(21-13)14(23)25-15(2,3)4/h6-9,24H,5,10H2,1-4H3