Chem
J-GLOBAL ID:200907027230740858   Nikkaji number:J744.497D

(2S,3E)-4-Bromo-2-benzyl-2-[(trifluoroacetyl)amino]-3-butenoic acid methyl ester

(2S,3E)-4-ブロモ-2-ベンジル-2-[(トリフルオロアセチル)アミノ]-3-ブテン酸メチル
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: C14H13BrF3NO3
Molecular formula furigana: C14-H13-BR-F3-N-O3
Molecular weight: 380.161
InChI: InChI=1S/C14H13BrF3NO3/c1-22-12(21)13(7-8-15,19-11(20)14(16,17)18)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,19,20)/b8-7+/t13-/m1/s1
InChI key: AQLFXWNZFVUQMH-SBDDDAINSA-N
SMILES: COC(=O)[C@@](Cc1ccccc1)(NC(=O)C(F)(F)F)/C=C/Br
Systematic name  (3):
  • (2S,3E)-4-ブロモ-2-ベンジル-2-[(トリフルオロアセチル)アミノ]-3-ブテン酸メチル
  • メチル (2S,3E)-2-ベンジル-4-ブロモ-2-(2,2,2-トリフルオロアセトアミド)ブタ-3-エノアート
  • methyl (2S,3E)-2-benzyl-4-bromo-2-(2,2,2-trifluoroacetamido)but-3-enoate
Other name (1):
  • (2S,3E)-4-Bromo-2-benzyl-2-[(trifluoroacetyl)amino]-3-butenoic acid methyl ester
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