ethyl 5-cyclohexyl-3-oxidanyl-3-(trifluoromethyl)-1H-pyrazole-2-carboxylate

Systemtic Name: ethyl 5-cyclohexyl-3-oxidanyl-3-(trifluoromethyl)-1H-pyrazole-2-carboxylate Openeye Name: ethyl 5-cyclohexyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazole-2-carboxylate CAS Name: 5-cyclohexyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyclohexyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazole-2-carboxylate Traditional Name: 3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-3-pyrazoline-1-carboxylic acid ethyl ester Formula: C13H19F3N2O3 MolecularWeight: 308.29677

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(C=C(N1)C2CCCCC2)(C(F)(F)F)O

Isomeric SMILES

CCOC(=O)N1C(C=C(N1)C2CCCCC2)(C(F)(F)F)O

InChI

InChI=1S/C13H19F3N2O3/c1-2-21-11(19)18-12(20,13(14,15)16)8-10(17-18)9-6-4-3-5-7-9/h8-9,17,20H,2-7H2,1H3