Chem
J-GLOBAL ID:200907018604339142   Nikkaji number:J2.739.674G

2-[(2,4-Dimethoxy-6-hydroxyphenyl)(4-nitrophenyl)methyl]malonic acid dimethyl ester

2-[(2,4-ジメトキシ-6-ヒドロキシフェニル)(4-ニトロフェニル)メチル]マロン酸ジメチル
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: C20H21[N+]O8[O-]
Molecular formula furigana: C20-H21-N-O9
Molecular weight: 419.386
InChI: InChI=1S/C20H21NO9/c1-27-13-9-14(22)17(15(10-13)28-2)16(18(19(23)29-3)20(24)30-4)11-5-7-12(8-6-11)21(25)26/h5-10,16,18,22H,1-4H3
InChI key: MLQGTXMWQSRCNF-UHFFFAOYSA-N
SMILES: COC(=O)C(C(c1ccc(cc1)[N+](=O)[O-])c1c(O)cc(OC)cc1OC)C(=O)OC
Systematic name  (3):
  • 2-[(2,4-ジメトキシ-6-ヒドロキシフェニル)(4-ニトロフェニル)メチル]マロン酸ジメチル
  • 1,3-ジメチル 2-[(2-ヒドロキシ-4,6-ジメトキシフェニル)(4-ニトロフェニル)メチル]プロパンジオアート
  • 1,3-dimethyl 2-[(2-hydroxy-4,6-dimethoxyphenyl)(4-nitrophenyl)methyl]propanedioate
Other name (1):
  • 2-[(2,4-Dimethoxy-6-hydroxyphenyl)(4-nitrophenyl)methyl]malonic acid dimethyl ester
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