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

Systemtic Name: methyl 4-methyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Openeye Name: methyl 5-hydroxy-4-methyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate CAS Name: 5-hydroxy-4-methyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylic acid methyl ester IUPAC Name: methyl 5-hydroxy-4-methyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Traditional Name: 5-hydroxy-4-methyl-5-(trifluoromethyl)-2-pyrazoline-1-carboxylic acid methyl ester Formula: C7H9F3N2O3 MolecularWeight: 226.15317

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=NN(C1(C(F)(F)F)O)C(=O)OC

Isomeric SMILES

CC1C=NN(C1(C(F)(F)F)O)C(=O)OC

InChI

InChI=1S/C7H9F3N2O3/c1-4-3-11-12(5(13)15-2)6(4,14)7(8,9)10/h3-4,14H,1-2H3