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

Systemtic Name: ethyl 5-oxidanyl-3-pyridin-4-yl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Openeye Name: ethyl 5-hydroxy-3-(4-pyridyl)-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate CAS Name: 5-hydroxy-3-pyridin-4-yl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-3-pyridin-4-yl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Traditional Name: 5-hydroxy-3-(4-pyridyl)-5-(trifluoromethyl)-2-pyrazoline-1-carboxylic acid ethyl ester Formula: C12H12F3N3O3 MolecularWeight: 303.23719

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12F3N3O3/c1-2-21-10(19)18-11(20,12(13,14)15)7-9(17-18)8-3-5-16-6-4-8/h3-6,20H,2,7H2,1H3