tert-butyl 2-[3-butyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxidanylidene-ethanoate

Systemtic Name: tert-butyl 2-[3-butyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxidanylidene-ethanoate Openeye Name: tert-butyl 2-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxo-acetate CAS Name: 2-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxoacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxoacetate Traditional Name: 2-[3-butyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-2-keto-acetic acid tert-butyl ester Formula: C14H21F3N2O4 MolecularWeight: 338.32275

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C14H21F3N2O4/c1-5-6-7-9-8-13(22,14(15,16)17)19(18-9)10(20)11(21)23-12(2,3)4/h22H,5-8H2,1-4H3