ethyl 5-(4-ethylphenyl)-3-oxidanyl-3-(trifluoromethyl)-1H-pyrazole-2-carboxylate

Systemtic Name: ethyl 5-(4-ethylphenyl)-3-oxidanyl-3-(trifluoromethyl)-1H-pyrazole-2-carboxylate Openeye Name: ethyl 5-(4-ethylphenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazole-2-carboxylate CAS Name: 5-(4-ethylphenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-ethylphenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazole-2-carboxylate Traditional Name: 3-(4-ethylphenyl)-5-hydroxy-5-(trifluoromethyl)-3-pyrazoline-1-carboxylic acid ethyl ester Formula: C15H17F3N2O3 MolecularWeight: 330.30229

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC(N(N2)C(=O)OCC)(C(F)(F)F)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC(N(N2)C(=O)OCC)(C(F)(F)F)O

InChI

InChI=1S/C15H17F3N2O3/c1-3-10-5-7-11(8-6-10)12-9-14(22,15(16,17)18)20(19-12)13(21)23-4-2/h5-9,19,22H,3-4H2,1-2H3