Chem
J-GLOBAL ID:200907027713795424   Nikkaji number:J1.996.997E

1-(3-Carboxypropyl)-3,3-dimethyl-2-(5-nitro-2-oxylatostyryl)-3H-indolium

1-(3-カルボキシプロピル)-3,3-ジメチル-2-(5-ニトロ-2-オキシラトスチリル)-3H-インドリウム
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: C22H22[N+]2O3[O-]2
Molecular formula furigana: C22-H22-N2-O5
Molecular weight: 394.427
InChI: InChI=1S/C22H22N2O5/c1-22(2)17-6-3-4-7-18(17)23(13-5-8-21(26)27)20(22)12-9-15-14-16(24(28)29)10-11-19(15)25/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3,(H,26,27)
InChI key: HALBFVWWHQYZOU-UHFFFAOYSA-N
SMILES: CC1(C)C(=[N+](CCCC(=O)O)c2ccccc12)C=Cc1cc(ccc1[O-])[N+](=O)[O-]
Systematic name  (6):
  • 1-(3-カルボキシプロピル)-2-(2-オキシラト-5-ニトロスチリル)-3,3-ジメチル-3H-インドール-1-イウム
  • 1-(3-カルボキシプロピル)-2-[2-(2-オキシラト-5-ニトロフェニル)エテニル]-3,3-ジメチル-1H-インドール-1-イウム
  • 2-[2-(2-オキシラト-5-ニトロフェニル)エテニル]-3,3-ジメチル-1-(3-カルボキシプロピル)-3H-インドール-1-イウム
  • 1-(3-カルボキシプロピル)-3,3-ジメチル-2-(5-ニトロ-2-オキシラトスチリル)-3H-インドリウム
  • 1-(3-カルボキシプロピル)-3,3-ジメチル-2-[2-(5-ニトロ-2-オキシドフェニル)エテニル]-3H-インドール-1-イウム
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Other name (4):
  • 1-(3-Carboxypropyl)-2-(2-oxylato-5-nitrostyryl)-3,3-dimethyl-3H-indole-1-ium
  • 1-(3-Carboxypropyl)-2-[2-(2-oxylato-5-nitrophenyl)ethenyl]-3,3-dimethyl-1H-indole-1-ium
  • 2-[2-(2-Oxylato-5-nitrophenyl)ethenyl]-3,3-dimethyl-1-(3-carboxypropyl)-3H-indole-1-ium
  • 1-(3-Carboxypropyl)-3,3-dimethyl-2-(5-nitro-2-oxylatostyryl)-3H-indolium
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