Chem
J-GLOBAL ID：200907028697881389   Nikkaji number：J407.148D

1-[2-(2,4,6-Trinitrophenoxy)propanoyl]-1H-benzotriazole

1-[2-(2,4,6-トリニトロフェノキシ)プロパノイル]-1H-ベンゾトリアゾール
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： C15H10N3[N+]3O5[O-]3
Molecular formula furigana： C15-H10-N6-O8
Molecular weight： 402.279
InChI： InChI=1S/C15H10N6O8/c1-8(15(22)18-11-5-3-2-4-10(11)16-17-18)29-14-12(20(25)26)6-9(19(23)24)7-13(14)21(27)28/h2-8H,1H3
InChI key： YXCWUJWEWZECBT-UHFFFAOYSA-N
SMILES： CC(Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C(=O)n1nnc2ccccc12
Systematic name  (3)：
  • 1-[2-(2,4,6-トリニトロフェノキシ)プロパノイル]-1H-ベンゾトリアゾール
  • 1-(1H-1,2,3-ベンゾトリアゾール-1-イル)-2-(2,4,6-トリニトロフェノキシ)プロパン-1-オン
  • 1-(1H-1,2,3-benzotriazol-1-yl)-2-(2,4,6-trinitrophenoxy)propan-1-one
Other name (1)：
  • 1-[2-(2,4,6-Trinitrophenoxy)propanoyl]-1H-benzotriazole
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