Chem
J-GLOBAL ID：200907044665060141   Nikkaji number：J1.652.971K

2-Phenyl-4,6-dinitro-2H-benzotriazole 1-oxide

2-フェニル-4,6-ジニトロ-2H-ベンゾトリアゾール1-オキシド
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： C12H7N2[N+]3O2[O-]3
Molecular formula furigana： C12-H7-N5-O5
Molecular weight： 301.218
InChI： InChI=1S/C12H7N5O5/c18-15-10-6-9(16(19)20)7-11(17(21)22)12(10)13-14(15)8-4-2-1-3-5-8/h1-7H
InChI key： RTDCQHFTIANRPU-UHFFFAOYSA-N
SMILES： [O-][N+](=O)c1cc([N+](=O)[O-])c2nn(c3ccccc3)[n+]([O-])c2c1
Systematic name  (4)：
  • 1-オキシラト-2-フェニル-4,6-ジニトロ-2H-ベンゾトリアゾール-1-イウム
  • 2-フェニル-4,6-ジニトロ-2H-ベンゾトリアゾール1-オキシド
  • 4,6-ジニトロ-2-フェニル-2H-1,2,3-ベンゾトリアゾール-1-イウム-1-オラート
  • 4,6-dinitro-2-phenyl-2H-1,2,3-benzotriazol-1-ium-1-olate
Other name (2)：
  • 1-Oxylato-2-phenyl-4,6-dinitro-2H-benzotriazole-1-ium
  • 2-Phenyl-4,6-dinitro-2H-benzotriazole 1-oxide
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