Chem
J-GLOBAL ID：200907001556561148   Nikkaji number：J1.611.135J

4-[[3-Nitro-4-(phenylethynyl)phenyl]ethynyl]aniline

4-[[3-ニトロ-4-(フェニルエチニル)フェニル]エチニル]アニリン
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： C22H14N[N+]O[O-]
Molecular formula furigana： C22-H14-N2-O2
Molecular weight： 338.366
InChI： InChI=1S/C22H14N2O2/c23-21-14-10-18(11-15-21)6-7-19-9-13-20(22(16-19)24(25)26)12-8-17-4-2-1-3-5-17/h1-5,9-11,13-16H,23H2
InChI key： VUJZKRDNDDQFCE-UHFFFAOYSA-N
SMILES： Nc1ccc(cc1)C#Cc1ccc(C#Cc2ccccc2)c(c1)[N+](=O)[O-]
Systematic name  (3)：
  • 4-[[3-ニトロ-4-(フェニルエチニル)フェニル]エチニル]アニリン
  • 4-{2-[3-ニトロ-4-(2-フェニルエチニル)フェニル]エチニル}アニリン
  • 4-{2-[3-nitro-4-(2-phenylethynyl)phenyl]ethynyl}aniline
Other name (1)：
  • 4-[[3-Nitro-4-(phenylethynyl)phenyl]ethynyl]aniline
Thsaurus map：
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