Chem
J-GLOBAL ID:200907079779670487   Nikkaji number:J1.441.554H

1-(2-Hydroxyethyl)-3,3-dimethyl-2-[(Z)-2-oxylato-3-methoxy-5-nitrostyryl]-3H-indole-1-ium

1-(2-ヒドロキシエチル)-3,3-ジメチル-2-[(Z)-2-オキシラト-3-メトキシ-5-ニトロスチリル]-3H-インドール-1-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: C21H22[N+]2O3[O-]2
Molecular formula furigana: C21-H22-N2-O5
Molecular weight: 382.416
InChI: InChI=1S/C21H22N2O5/c1-21(2)16-6-4-5-7-17(16)22(10-11-24)19(21)9-8-14-12-15(23(26)27)13-18(28-3)20(14)25/h4-9,12-13,24H,10-11H2,1-3H3
InChI key: PHEFRWLXJCZFDC-UHFFFAOYSA-N
SMILES: COc1cc(cc(/C=C\C2=[N+](CCO)c3ccccc3C2(C)C)c1[O-])[N+](=O)[O-]
Systematic name  (3):
  • 1-(2-ヒドロキシエチル)-3,3-ジメチル-2-[(Z)-2-オキシラト-3-メトキシ-5-ニトロスチリル]-3H-インドール-1-イウム
  • 1-(2-ヒドロキシエチル)-2-[(1Z)-2-(3-メトキシ-5-ニトロ-2-オキシドフェニル)エテニル]-3,3-ジメチル-3H-インドール-1-イウム
  • 1-(2-hydroxyethyl)-2-[(1Z)-2-(3-methoxy-5-nitro-2-oxidophenyl)ethenyl]-3,3-dimethyl-3H-indol-1-ium
Other name (1):
  • 1-(2-Hydroxyethyl)-3,3-dimethyl-2-[(Z)-2-oxylato-3-methoxy-5-nitrostyryl]-3H-indole-1-ium
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