Chem
J-GLOBAL ID:200907042930760328   Nikkaji number:J1.727.832K

3-Nitro-5-tert-butylphthalonitrile

3-ニトロ-5-tert-ブチルフタロニトリル
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: C12H11N2[N+]O[O-]
Molecular formula furigana: C12-H11-N3-O2
Molecular weight: 229.239
InChI: InChI=1S/C12H11N3O2/c1-12(2,3)9-4-8(6-13)10(7-14)11(5-9)15(16)17/h4-5H,1-3H3
InChI key: RJCNGRFLCQOQOH-UHFFFAOYSA-N
SMILES: CC(C)(C)c1cc(C#N)c(C#N)c(c1)[N+](=O)[O-]
Systematic name  (4):
  • 3-ニトロ-5-tert-ブチルフタロニトリル
  • 3-ニトロ-5-tert-ブチルベンゼン-1,2-ジカルボニトリル
  • 5-tert-ブチル-3-ニトロベンゼン-1,2-ジカルボニトリル
  • 5-tert-butyl-3-nitrobenzene-1,2-dicarbonitrile
Other name (2):
  • 3-Nitro-5-tert-butylphthalonitrile
  • 3-Nitro-5-tert-butylbenzene-1,2-dicarbonitrile
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