Chem
J-GLOBAL ID：201707004050501840   Nikkaji number：J3.521.841F

1,1′-(4-Nitrobenzylidene)bis(2,3-dimethyl-1H-imidazole-3-ium)

1,1′-(4-ニトロベンジリデン)ビス(2,3-ジメチル-1H-イミダゾール-3-イウム)
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： C17H21N2[N+]3O[O-]
Molecular formula furigana： C17-H21-N5-O2
Molecular weight： 327.387
InChI： InChI=1S/C17H21N5O2/c1-13-18(3)9-11-20(13)17(21-12-10-19(4)14(21)2)15-5-7-16(8-6-15)22(23)24/h5-12,17H,1-4H3/q+2
InChI key： LTBYHZZUOOMHOI-UHFFFAOYSA-N
SMILES： Cc1n(cc[n+]1C)C(c1ccc(cc1)[N+](=O)[O-])n1cc[n+](C)c1C
Systematic name  (3)：
  • 1,1′-(4-ニトロベンジリデン)ビス(2,3-ジメチル-1H-イミダゾール-3-イウム)
  • 1-[(2,3-ジメチル-1H-イミダゾール-3-イウム-1-イル)(4-ニトロフェニル)メチル]-2,3-ジメチル-1H-イミダゾール-3-イウム
  • 1-[(2,3-dimethyl-1H-imidazol-3-ium-1-yl)(4-nitrophenyl)methyl]-2,3-dimethyl-1H-imidazol-3-ium
Other name (1)：
  • 1,1′-(4-Nitrobenzylidene)bis(2,3-dimethyl-1H-imidazole-3-ium)
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