Chem
J-GLOBAL ID：200907051112896850   Nikkaji number：J2.056.777E

1,1′-(Trimethylenedioxy)bis(5-nitro-1H-indole-3-carbaldehyde)

1,1′-(トリメチレンジオキシ)ビス(5-ニトロ-1H-インドール-3-カルボアルデヒド)
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： C21H16N2[N+]2O6[O-]2
Molecular formula furigana： C21-H16-N4-O8
Molecular weight： 452.379
InChI： InChI=1S/C21H16N4O8/c26-12-14-10-22(20-4-2-16(24(28)29)8-18(14)20)32-6-1-7-33-23-11-15(13-27)19-9-17(25(30)31)3-5-21(19)23/h2-5,8-13H,1,6-7H2
InChI key： SIDWHGQZGHDCOB-UHFFFAOYSA-N
SMILES： [O-][N+](=O)c1ccc2n(OCCCOn3cc(C=O)c4cc(ccc34)[N+](=O)[O-])cc(C=O)c2c1
Systematic name  (3)：
  • 1,1′-(トリメチレンジオキシ)ビス(5-ニトロ-1H-インドール-3-カルボアルデヒド)
  • 1-{3-[(3-ホルミル-5-ニトロ-1H-インドール-1-イル)オキシ]プロポキシ}-5-ニトロ-1H-インドール-3-カルバルデヒド
  • 1-{3-[(3-formyl-5-nitro-1H-indol-1-yl)oxy]propoxy}-5-nitro-1H-indole-3-carbaldehyde
Other name (1)：
  • 1,1′-(Trimethylenedioxy)bis(5-nitro-1H-indole-3-carbaldehyde)
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