Chem
J-GLOBAL ID：200907016698023027   Nikkaji number：J402.888K

NPPB

NPPB
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： C16H16N[N+]O3[O-]
Molecular formula furigana： C16-H16-N2-O4
Molecular weight： 300.314
InChI： InChI=1S/C16H16N2O4/c19-16(20)14-11-13(18(21)22)8-9-15(14)17-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,17H,4,7,10H2,(H,19,20)
InChI key： WBSMIPAMAXNXFS-UHFFFAOYSA-N
SMILES： OC(=O)c1cc(ccc1NCCCc1ccccc1)[N+](=O)[O-]
Systematic name  (7)：
  • 2-[(3-フェニルプロピル)アミノ]-5-ニトロ安息香酸
  • 5-ニトロ-2-[(3-フェニルプロピル)アミノ]安息香酸
  • 5-ニトロ-2-(3-フェニルプロピルアミノ)安息香酸
  • 3-ニトロ-6-[(3-フェニルプロピル)アミノ]安息香酸
  • 5-ニトロ-2-(3-フェニルプロピルアミノ)-安息香酸
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Other name (12)：
  • 化合物144
  • Compound 144
  • NPPB
  • 5-Nitro-2-(3-phenylpropylamino)benzoic acid
  • 5-Nitro-2-[(3-phenylpropyl)amino]benzoic acid
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CAS registry number： 107254-86-4
KEGG COMPOUND： C13705
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