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

Systemtic Name: ethyl 5-oxidanyl-3-phenyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Openeye Name: ethyl 5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate CAS Name: 5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Traditional Name: 5-hydroxy-3-phenyl-5-(trifluoromethyl)-2-pyrazoline-1-carboxylic acid ethyl ester Formula: C13H13F3N2O3 MolecularWeight: 302.24913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(CC(=N1)C2=CC=CC=C2)(C(F)(F)F)O

Isomeric SMILES

CCOC(=O)N1C(CC(=N1)C2=CC=CC=C2)(C(F)(F)F)O

InChI

InChI=1S/C13H13F3N2O3/c1-2-21-11(19)18-12(20,13(14,15)16)8-10(17-18)9-6-4-3-5-7-9/h3-7,20H,2,8H2,1H3