Chem
J-GLOBAL ID：200907034283237437   Nikkaji number：J1.825.663K

1-(4-Nitrobutanoyl)-3,5-dimethyl-4-iodo-1H-pyrazole

1-(4-ニトロブタノイル)-3,5-ジメチル-4-ヨード-1H-ピラゾール
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： C9H12IN2[N+]O2[O-]
Molecular formula furigana： C9-H12-I-N3-O3
Molecular weight： 337.117
InChI： InChI=1S/C9H12IN3O3/c1-6-9(10)7(2)13(11-6)8(14)4-3-5-12(15)16/h3-5H2,1-2H3
InChI key： CYQHYDGLWWGFGJ-UHFFFAOYSA-N
SMILES： Cc1nn(C(=O)CCC[N+](=O)[O-])c(C)c1I
Systematic name  (3)：
  • 1-(4-ニトロブタノイル)-3,5-ジメチル-4-ヨード-1H-ピラゾール
  • 1-(4-ヨード-3,5-ジメチル-1H-ピラゾール-1-イル)-4-ニトロブタン-1-オン
  • 1-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrobutan-1-one
Other name (1)：
  • 1-(4-Nitrobutanoyl)-3,5-dimethyl-4-iodo-1H-pyrazole
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