methyl 5-oxidanyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate

Systemtic Name: methyl 5-oxidanyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Openeye Name: methyl 5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate CAS Name: 5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylic acid methyl ester IUPAC Name: methyl 5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Traditional Name: 5-hydroxy-5-(trifluoromethyl)-2-pyrazoline-1-carboxylic acid methyl ester Formula: C6H7F3N2O3 MolecularWeight: 212.12659

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C(CC=N1)(C(F)(F)F)O

Isomeric SMILES

COC(=O)N1C(CC=N1)(C(F)(F)F)O

InChI

InChI=1S/C6H7F3N2O3/c1-14-4(12)11-5(13,2-3-10-11)6(7,8)9/h3,13H,2H2,1H3