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

Systemtic Name: methyl 5-oxidanyl-1-phenyl-5-(trifluoromethyl)-4H-pyrazole-3-carboxylate Openeye Name: methyl 5-hydroxy-1-phenyl-5-(trifluoromethyl)-4H-pyrazole-3-carboxylate CAS Name: 5-hydroxy-1-phenyl-5-(trifluoromethyl)-4H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-hydroxy-1-phenyl-5-(trifluoromethyl)-4H-pyrazole-3-carboxylate Traditional Name: 5-hydroxy-1-phenyl-5-(trifluoromethyl)-2-pyrazoline-3-carboxylic acid methyl ester Formula: C12H11F3N2O3 MolecularWeight: 288.22255

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(C1)(C(F)(F)F)O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=NN(C(C1)(C(F)(F)F)O)C2=CC=CC=C2

InChI

InChI=1S/C12H11F3N2O3/c1-20-10(18)9-7-11(19,12(13,14)15)17(16-9)8-5-3-2-4-6-8/h2-6,19H,7H2,1H3