Chem
J-GLOBAL ID：200907096772987118   Nikkaji number：J2.258.437E

N-(5-Bromo-1H-pyrrole-2-ylcarbonyl)-β-alanine ethyl ester

N-(5-ブロモ-1H-ピロール-2-イルカルボニル)-β-アラニンエチル
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： C10H13BrN2O3
Molecular formula furigana： C10-H13-BR-N2-O3
Molecular weight： 289.129
InChI： InChI=1S/C10H13BrN2O3/c1-2-16-9(14)5-6-12-10(15)7-3-4-8(11)13-7/h3-4,13H,2,5-6H2,1H3,(H,12,15)
InChI key： HBNOCQFTPOEGJG-UHFFFAOYSA-N
SMILES： CCOC(=O)CCNC(=O)c1ccc(Br)[nH]1
Systematic name  (3)：
  • N-(5-ブロモ-1H-ピロール-2-イルカルボニル)-β-アラニンエチル
  • エチル 3-[(5-ブロモ-1H-ピロール-2-イル)ホルムアミド]プロパノアート
  • ethyl 3-[(5-bromo-1H-pyrrol-2-yl)formamido]propanoate
Other name (1)：
  • N-(5-Bromo-1H-pyrrole-2-ylcarbonyl)-β-alanine ethyl ester
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