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

Systemtic Name: methyl 2-(5-ethyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate Openeye Name: methyl 2-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-hydroxy-propanoate CAS Name: 2-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-hydroxypropanoate Traditional Name: 2-(3-ethyl-5-keto-1-phenyl-3-pyrazolin-4-yl)-3,3,3-trifluoro-2-hydroxy-propionic acid methyl ester Formula: C15H15F3N2O4 MolecularWeight: 344.28581

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C(=O)OC)(C(F)(F)F)O

Isomeric SMILES

CCC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C(=O)OC)(C(F)(F)F)O

InChI

InChI=1S/C15H15F3N2O4/c1-3-10-11(14(23,13(22)24-2)15(16,17)18)12(21)20(19-10)9-7-5-4-6-8-9/h4-8,19,23H,3H2,1-2H3