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

Systemtic Name: ethyl 3-(3-methylbutyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Openeye Name: ethyl 5-hydroxy-3-isopentyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate CAS Name: 5-hydroxy-3-(3-methylbutyl)-5-(trifluoromethyl)-4H-pyrazole-1-carboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-3-(3-methylbutyl)-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Traditional Name: 5-hydroxy-3-isoamyl-5-(trifluoromethyl)-2-pyrazoline-1-carboxylic acid ethyl ester Formula: C12H19F3N2O3 MolecularWeight: 296.28607

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(CC(=N1)CCC(C)C)(C(F)(F)F)O

Isomeric SMILES

CCOC(=O)N1C(CC(=N1)CCC(C)C)(C(F)(F)F)O

InChI

InChI=1S/C12H19F3N2O3/c1-4-20-10(18)17-11(19,12(13,14)15)7-9(16-17)6-5-8(2)3/h8,19H,4-7H2,1-3H3