Chem
J-GLOBAL ID：200907055625732840   Nikkaji number：J2.174.954K

3-[2-[(Trifluoroacetyl)amino]ethyl]muconic acid dimethyl ester

3-[2-[(トリフルオロアセチル)アミノ]エチル]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： C12H14F3NO5
Molecular formula furigana： C12-H14-F3-N-O5
Molecular weight： 309.241
InChI： InChI=1S/C12H14F3NO5/c1-20-9(17)4-3-8(7-10(18)21-2)5-6-16-11(19)12(13,14)15/h3-4,7H,5-6H2,1-2H3,(H,16,19)/b4-3+,8-7-
InChI key： QUQUSXRTBOHLIV-UTUPVWNLSA-N
SMILES： COC(=O)/C=C/C(=C/C(=O)OC)/CCNC(=O)C(F)(F)F
Systematic name  (3)：
  • 3-[2-[(トリフルオロアセチル)アミノ]エチル]ムコン酸ジメチル
  • 1,6-ジメチル (2E,4E)-3-[2-(2,2,2-トリフルオロアセトアミド)エチル]ヘキサ-2,4-ジエンジオアート
  • 1,6-dimethyl (2E,4E)-3-[2-(2,2,2-trifluoroacetamido)ethyl]hexa-2,4-dienedioate
Other name (1)：
  • 3-[2-[(Trifluoroacetyl)amino]ethyl]muconic acid dimethyl ester
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