Chem
J-GLOBAL ID：200907071162296501   Nikkaji number：J346.126B

NNKOAc

酢酸[[4-オキソ-4-(3-ピリジニル)ブチル]ニトロソアミノ]メチル
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： C12H15N3O4
Molecular formula furigana： C12-H15-N3-O4
Molecular weight： 265.269
InChI： InChI=1S/C12H15N3O4/c1-10(16)19-9-15(14-18)7-3-5-12(17)11-4-2-6-13-8-11/h2,4,6,8H,3,5,7,9H2,1H3
InChI key： PGOGEOISASKDLL-UHFFFAOYSA-N
SMILES： CC(=O)OCN(CCCC(=O)c1cccnc1)N=O
Systematic name  (11)：
  • 酢酸[[4-(3-ピリジニル)-4-オキソブチル]ニトロソアミノ]メチル
  • 酢酸[[4-オキソ-4-(3-ピリジニル)ブチル]ニトロソアミノ]メチル
  • 4-(アセトキシメチルニトロソアミノ)-1-(3-ピリジル)-1-ブタノン
  • 4-[(アセトキシメチル)ニトロソアミノ]-1-(3-ピリジル)-1-ブタノン
  • 酢酸[[ニトロソ[4-(3-ピリジニル)-4-オキソブチル]アミノ]メチル]
Show all
Other name (3)：
  • Acetic acid [[(nitroso)[4-(3-pyridinyl)-4-oxobutyl]amino]methyl] ester
  • NNKOAc
  • 4-[N-(Acetoxymethyl)-N-nitrosoamino]-1-(3-pyridinyl)-1-butanone
Thsaurus map：
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