Chem
J-GLOBAL ID：200907012245897993   Nikkaji number：J2.174.952D

3-[(Trifluoroacetyl)aminomethyl]muconic acid dimethyl ester

3-[(トリフルオロアセチル)アミノメチル]ムコン酸ジメチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C11H12F3NO5
Molecular formula furigana： C11-H12-F3-N-O5
Molecular weight： 295.214
InChI： InChI=1S/C11H12F3NO5/c1-19-8(16)4-3-7(5-9(17)20-2)6-15-10(18)11(12,13)14/h3-5H,6H2,1-2H3,(H,15,18)/b4-3+,7-5-
InChI key： HQLBPZHUCGDTBW-BZDQXIRASA-N
SMILES： COC(=O)/C=C/C(=C/C(=O)OC)/CNC(=O)C(F)(F)F
Systematic name  (3)：
  • 3-[(トリフルオロアセチル)アミノメチル]ムコン酸ジメチル
  • 1,6-ジメチル (2Z,4E)-3-[(2,2,2-トリフルオロアセトアミド)メチル]ヘキサ-2,4-ジエンジオアート
  • 1,6-dimethyl (2Z,4E)-3-[(2,2,2-trifluoroacetamido)methyl]hexa-2,4-dienedioate
Other name (1)：
  • 3-[(Trifluoroacetyl)aminomethyl]muconic acid dimethyl ester
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