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(E)-4-amino-3-cyano-2-(p-toluoylamino)-2-(trifluoromethyl)pent-3-enoic acid methyl ester
SpectraBase Compound ID Kfg4UZWtz3D
InChI InChI=1S/C16H16F3N3O3/c1-9-4-6-11(7-5-9)13(23)22-15(14(24)25-3,16(17,18)19)12(8-20)10(2)21/h4-7H,21H2,1-3H3,(H,22,23)/b12-10-
InChIKey CUZHMFZNCDETNI-BENRWUELSA-N
Mol Weight 355.32 g/mol
Molecular Formula C16H16F3N3O3
Exact Mass 355.114376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3QodCaJHHE
Name (E)-4-amino-3-cyano-2-(p-toluoylamino)-2-(trifluoromethyl)pent-3-enoic acid methyl ester
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Formula C16H16F3N3O3
InChI InChI=1S/C16H16F3N3O3/c1-9-4-6-11(7-5-9)13(23)22-15(14(24)25-3,16(17,18)19)12(8-20)10(2)21/h4-7H,21H2,1-3H3,(H,22,23)/b12-10-
InChIKey CUZHMFZNCDETNI-BENRWUELSA-N
Molecular Weight 355.317 g/mol
SMILES N\C(=C/(C(NC(c1ccc(cc1)C)=O)(C(F)(F)F)C(=O)OC)C#N)C
SPLASH splash10-014i-4922000000-7614cbb7177eb32bda91
Synonyms (E)-4-amino-3-cyano-2-[[(4-methylphenyl)-oxomethyl]amino]-2-(trifluoromethyl)-3-pentenoic acid methyl ester Methyl (E)-4-amino-3-cyano-2-[(4-methylbenzoyl)amino]-2-(trifluoromethyl)pent-3-enoate Methyl (E)-4-azanyl-3-cyano-2-[(4-methylphenyl)carbonylamino]-2-(trifluoromethyl)pent-3-enoate
Wiley ID 1453071