Chem
J-GLOBAL ID：200907000231857362   Nikkaji number：J601.937D

2,4-Dinitro-5-[bis(2-chloroethyl)amino]-N-(2,3-dihydroxypropyl)benzamide

2,4-ジニトロ-5-[ビス(2-クロロエチル)アミノ]-N-(2,3-ジヒドロキシプロピル)ベンズアミド
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： C14H18Cl2N2[N+]2O5[O-]2
Molecular formula furigana： C14-H18-CL2-N4-O7
Molecular weight： 425.220
InChI： InChI=1S/C14H18Cl2N4O7/c15-1-3-18(4-2-16)12-5-10(14(23)17-7-9(22)8-21)11(19(24)25)6-13(12)20(26)27/h5-6,9,21-22H,1-4,7-8H2,(H,17,23)
InChI key： STDJLRWWBPNRAI-UHFFFAOYSA-N
SMILES： OCC(O)CNC(=O)c1cc(N(CCCl)CCCl)c(cc1[N+](=O)[O-])[N+](=O)[O-]
Systematic name  (4)：
  • N-(2,3-ジヒドロキシプロピル)-2,4-ジニトロ-5-[ビス(2-クロロエチル)アミノ]ベンズアミド
  • 2,4-ジニトロ-5-[ビス(2-クロロエチル)アミノ]-N-(2,3-ジヒドロキシプロピル)ベンズアミド
  • 5-[ビス(2-クロロエチル)アミノ]-N-(2,3-ジヒドロキシプロピル)-2,4-ジニトロベンズアミド
  • 5-[bis(2-chloroethyl)amino]-N-(2,3-dihydroxypropyl)-2,4-dinitrobenzamide
Other name (1)：
  • 2,4-Dinitro-5-[bis(2-chloroethyl)amino]-N-(2,3-dihydroxypropyl)benzamide
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