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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17F3N2O3/c1-7(2)4-5-8-6-10(18,11(12,13)14)16(15-8)9(17)19-3/h7,18H,4-6H2,1-3H3