Chem
J-GLOBAL ID:200907017881457741   Nikkaji number:J1.368.573H

2,3-Dimethylcubane-1,4-dicarboxylic acid 1-methyl 4-(4-nitrophenyl) ester

2,3-ジメチルクバン-1,4-ジカルボン酸1-メチル4-(4-ニトロフェニル)
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: C19H17[N+]O5[O-]
Molecular formula furigana: C19-H17-N-O6
Molecular weight: 355.346
InChI: InChI=1S/C19H17NO6/c1-16-13-10-11-12(18(10,16)14(21)25-3)17(16,2)19(11,13)15(22)26-9-6-4-8(5-7-9)20(23)24/h4-7,10-13H,1-3H3
InChI key: NVJQAZXUWLEONQ-UHFFFAOYSA-N
SMILES: COC(=O)C12C3C4C1C1(C)C2(C)C3C41C(=O)Oc1ccc(cc1)[N+](=O)[O-]
Systematic name  (4):
  • 2,3-ジメチルクバン-1,4-ジカルボン酸1-メチル4-(4-ニトロフェニル)
  • 2,5-ジメチルペンタシクロ[4.2.0.02,5.03,8.04,7]オクタン-1,4-ジカルボン酸1-(4-ニトロフェニル)4-メチル
  • 1-メチル 8-(4-ニトロフェニル) 2,3-ジメチルキュバン-1,8-ジカルボキシラート
  • 1-methyl 8-(4-nitrophenyl) 2,3-dimethylcubane-1,8-dicarboxylate
Other name (2):
  • 2,3-Dimethylcubane-1,4-dicarboxylic acid 1-methyl 4-(4-nitrophenyl) ester
  • 2,5-Dimethylpentacyclo[4.2.0.02,5.03,8.04,7]octane-1,4-dicarboxylic acid 1-(4-nitrophenyl)4-methyl ester
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