methyl (2S,4E)-4-(pyridin-2-ylhydrazinylidene)-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoate

Systemtic Name: methyl (2S,4E)-4-(pyridin-2-ylhydrazinylidene)-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoate Openeye Name: methyl (2S,4E)-4-(2-pyridylhydrazono)-2-[(2,2,2-trifluoroacetyl)amino]butanoate CAS Name: (2S,4E)-4-(2-pyridinylhydrazinylidene)-2-[(2,2,2-trifluoro-1-oxoethyl)amino]butanoic acid methyl ester IUPAC Name: methyl (2S,4E)-4-(pyridin-2-ylhydrazinylidene)-2-[(2,2,2-trifluoroacetyl)amino]butanoate Traditional Name: (2S,4E)-4-(2-pyridylhydrazono)-2-[(2,2,2-trifluoroacetyl)amino]butyric acid methyl ester Formula: C12H13F3N4O3 MolecularWeight: 318.25183

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC=NNC1=CC=CC=N1)NC(=O)C(F)(F)F

Isomeric SMILES

COC(=O)[C@H](C/C=N/NC1=CC=CC=N1)NC(=O)C(F)(F)F

InChI

InChI=1S/C12H13F3N4O3/c1-22-10(20)8(18-11(21)12(13,14)15)5-7-17-19-9-4-2-3-6-16-9/h2-4,6-8H,5H2,1H3,(H,16,19)(H,18,21)/b17-7+/t8-/m0/s1