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Chemistry, part 2

Content language

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Concept information

organooxygen compound > carbonyl compound > ketone > aromatic ketone > 4-(methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > 4-(methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > 4-(methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone

Preferred term

4-(methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C10H13N3O3

inchi

  • InChI=1S/C10H13N3O3/c1-12(11-15)6-3-5-10(14)9-4-2-7-13(16)8-9/h2,4,7-8H,3,5-6H2,1H3

inchikey

  • KRRWRVSPMYAJPF-UHFFFAOYSA-N

mass

  • 223.22850

monoisotopicmass

  • 223.09569

smiles

  • CN(CCCC(=O)c1ccc[n+]([O-])c1)N=O

subset

  • 2_STAR

synonym RELATED

  • 4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone
  • NNK-N-oxide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:82588

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