Chem
J-GLOBAL ID：200907077476214389   Nikkaji number：J2.199.085J

2-Nitro-3,3-dimethyl-5-oxohexanenitrile

2-ニトロ-3,3-ジメチル-5-オキソヘキサンニトリル
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： C8H12N[N+]O2[O-]
Molecular formula furigana： C8-H12-N2-O3
Molecular weight： 184.195
InChI： InChI=1S/C8H12N2O3/c1-6(11)4-8(2,3)7(5-9)10(12)13/h7H,4H2,1-3H3
InChI key： PTNDNJSUBXDPEI-UHFFFAOYSA-N
SMILES： CC(=O)CC(C)(C)C(C#N)[N+](=O)[O-]
Systematic name  (5)：
  • 2-ニトロ-3,3-ジメチル-5-オキソヘキサンニトリル
  • 3,3-ジメチル-2-ニトロ-5-オキソヘキサンニトリル
  • 2-ニトロ-5-オキソ-3,3-ジメチルヘキサンニトリル
  • 3,3-ジメチル-5-オキソ-2-ニトロヘキサンニトリル
  • 3,3-dimethyl-2-nitro-5-oxohexanenitrile
Other name (4)：
  • 2-Nitro-3,3-dimethyl-5-oxohexanenitrile
  • 3,3-Dimethyl-2-nitro-5-oxohexanenitrile
  • 2-Nitro-5-oxo-3,3-dimethylhexanenitrile
  • 3,3-Dimethyl-5-oxo-2-nitrohexanenitrile
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