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

Systemtic Name: tert-butyl 3-ethyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Openeye Name: tert-butyl 3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate CAS Name: 3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Traditional Name: 3-ethyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazoline-1-carboxylic acid tert-butyl ester Formula: C11H17F3N2O3 MolecularWeight: 282.25949

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17F3N2O3/c1-5-7-6-10(18,11(12,13)14)16(15-7)8(17)19-9(2,3)4/h18H,5-6H2,1-4H3