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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC1=NN([C@](C1)(C(F)(F)F)O)C(=O)OCC

InChI

InChI=1S/C11H17F3N2O3/c1-3-5-6-8-7-10(18,11(12,13)14)16(15-8)9(17)19-4-2/h18H,3-7H2,1-2H3/t10-/m0/s1