Chem
J-GLOBAL ID：200907002526564947   Nikkaji number：J2.129.857C

3,3-Dihydroxy-4,4-dicyano-5-(4-fluorophenyl)-1-cyclopentene-1,2-dicarboxylic acid dimethyl ester

3,3-ジヒドロキシ-4,4-ジシアノ-5-(4-フルオロフェニル)-1-シクロペンテン-1,2-ジカルボン酸ジメチル
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： C17H13FN2O6
Molecular formula furigana： C17-H13-F-N2-O6
Molecular weight： 360.297
InChI： InChI=1S/C17H13FN2O6/c1-25-14(21)11-12(9-3-5-10(18)6-4-9)16(7-19,8-20)17(23,24)13(11)15(22)26-2/h3-6,12,23-24H,1-2H3
InChI key： ASEDDENBOXCBMW-UHFFFAOYSA-N
SMILES： COC(=O)C1=C(C(=O)OC)C(O)(O)C(C#N)(C#N)C1c1ccc(F)cc1
Systematic name  (3)：
  • 3,3-ジヒドロキシ-4,4-ジシアノ-5-(4-フルオロフェニル)-1-シクロペンテン-1,2-ジカルボン酸ジメチル
  • 1,2-ジメチル 4,4-ジシアノ-5-(4-フルオロフェニル)-3,3-ジヒドロキシシクロペンタ-1-エン-1,2-ジカルボキシラート
  • 1,2-dimethyl 4,4-dicyano-5-(4-fluorophenyl)-3,3-dihydroxycyclopent-1-ene-1,2-dicarboxylate
Other name (1)：
  • 3,3-Dihydroxy-4,4-dicyano-5-(4-fluorophenyl)-1-cyclopentene-1,2-dicarboxylic acid dimethyl ester
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