Chem
J-GLOBAL ID：200907011432517979   Nikkaji number：J22.077I

CB-1954

CB-1954
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： C9H8N2[N+]2O3[O-]2
Molecular formula furigana： C9-H8-N4-O5
Molecular weight： 252.186
InChI： InChI=1S/C9H8N4O5/c10-9(14)5-3-7(11-1-2-11)8(13(17)18)4-6(5)12(15)16/h3-4H,1-2H2,(H2,10,14)
InChI key： WOCXQMCIOTUMJV-UHFFFAOYSA-N
SMILES： NC(=O)c1cc(N2CC2)c(cc1[N+](=O)[O-])[N+](=O)[O-]
Systematic name  (5)：
  • 5-(アジリジン-1-イル)-2,4-ジニトロベンズアミド
  • 2,4-ジニトロ-5-(1-アジリジニル)ベンズアミド
  • 5-(1-アジリジニル)-2,4-ジニトロベンズアミド
  • 2,4-ジニトロ-5-(アジリジン-1-イル)ベンズアミド
  • 5-(aziridin-1-yl)-2,4-dinitrobenzamide
Other name (4)：
  • CB-1954
  • CB-954
  • 5-(1-Aziridinyl)-2,4-dinitrobenzamide
  • 2,4-Dinitro-5-(aziridine-1-yl)benzamide
CAS registry number： 21919-05-1
Regulation number (1)：
  • CV2345500
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