Chem
J-GLOBAL ID：200907043043516150   Nikkaji number：J227.994K

Nitecapone

ニテカポン
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： C12H11[N+]O5[O-]
Molecular formula furigana： C12-H11-N-O6
Molecular weight： 265.221
InChI： InChI=1S/C12H11NO6/c1-6(14)9(7(2)15)3-8-4-10(13(18)19)12(17)11(16)5-8/h3-5,16-17H,1-2H3
InChI key： UPMRZALMHVUCIN-UHFFFAOYSA-N
SMILES： CC(=O)C(=Cc1cc(O)c(O)c(c1)[N+](=O)[O-])C(=O)C
Systematic name  (5)：
  • 3-(3,4-ジヒドロキシ-5-ニトロベンジリデン)ペンタン-2,4-ジオン
  • 3-(3,4-ジヒドロキシ-5-ニトロベンジリデン)-2,4-ペンタンジオン
  • 3-[(3,4-ジヒドロキシ-5-ニトロフェニル)メチレン]-2,4-ペンタンジオン
  • 3-[(3,4-ジヒドロキシ-5-ニトロフェニル)メチリデン]ペンタン-2,4-ジオン
  • 3-[(3,4-dihydroxy-5-nitrophenyl)methylidene]pentane-2,4-dione
Other name (4)：
  • OR-462
  • Nitecapone
  • ニテカポン
  • 3-[(3,4-Dihydroxy-5-nitrophenyl)methylene]-2,4-pentanedione
CAS registry number： 116313-94-1
KEGG DRUG： D03241
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