Chem
J-GLOBAL ID：200907071171875433   Nikkaji number：J2.560.166A

[6-[4-(Dimethylamino)phenyl]-2-oxo-3-cyano-2H-pyran-4-yl]malonic acid diethyl ester

[6-[4-(ジメチルアミノ)フェニル]-2-オキソ-3-シアノ-2H-ピラン-4-イル]マロン酸ジエチル
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： C21H22N2O6
Molecular formula furigana： C21-H22-N2-O6
Molecular weight： 398.415
InChI： InChI=1S/C21H22N2O6/c1-5-27-20(25)18(21(26)28-6-2)15-11-17(29-19(24)16(15)12-22)13-7-9-14(10-8-13)23(3)4/h7-11,18H,5-6H2,1-4H3
InChI key： HYVMXDFTWQXJBN-UHFFFAOYSA-N
SMILES： CCOC(=O)C(C(=O)OCC)c1cc(oc(=O)c1C#N)c1ccc(cc1)N(C)C
Systematic name  (3)：
  • [6-[4-(ジメチルアミノ)フェニル]-2-オキソ-3-シアノ-2H-ピラン-4-イル]マロン酸ジエチル
  • 1,3-ジエチル 2-{3-シアノ-6-[4-(ジメチルアミノ)フェニル]-2-オキソ-2H-ピラン-4-イル}プロパンジオアート
  • 1,3-diethyl 2-{3-cyano-6-[4-(dimethylamino)phenyl]-2-oxo-2H-pyran-4-yl}propanedioate
Other name (1)：
  • [6-[4-(Dimethylamino)phenyl]-2-oxo-3-cyano-2H-pyran-4-yl]malonic acid diethyl ester
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