methyl 2-(2,5-dimethyl-3-oxidanylidene-1H-pyrazol-4-yl)-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate

Systemtic Name: methyl 2-(2,5-dimethyl-3-oxidanylidene-1H-pyrazol-4-yl)-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate Openeye Name: methyl 2-(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-hydroxy-propanoate CAS Name: 2-(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-hydroxypropanoate Traditional Name: 3,3,3-trifluoro-2-hydroxy-2-(5-keto-1,3-dimethyl-3-pyrazolin-4-yl)propionic acid methyl ester Formula: C9H11F3N2O4 MolecularWeight: 268.18985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C)C(C(=O)OC)(C(F)(F)F)O

Isomeric SMILES

CC1=C(C(=O)N(N1)C)C(C(=O)OC)(C(F)(F)F)O

InChI

InChI=1S/C9H11F3N2O4/c1-4-5(6(15)14(2)13-4)8(17,7(16)18-3)9(10,11)12/h13,17H,1-3H3