Chem
J-GLOBAL ID：201207073953039527   Nikkaji number：J3.026.656K

(E)-3-[4-[2-[7-(4-Aminophenyl)-2,6-dioxo-2H,6H-benzo[1,2-b:4,5-b′]difuran-3-yl]ethenyl]phenyl]-2-cyanoacrylic acid

(E)-3-[4-[2-[7-(4-アミノフェニル)-2,6-ジオキソ-2H,6H-ベンゾ[1,2-b:4,5-b′]ジフラン-3-イル]エテニル]フェニル]-2-シアノアクリル酸
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： C28H16N2O6
Molecular formula furigana： C28-H16-N2-O6
Molecular weight： 476.444
InChI： InChI=1S/C28H16N2O6/c29-14-18(26(31)32)11-16-3-1-15(2-4-16)5-10-20-21-12-24-22(13-23(21)35-27(20)33)25(28(34)36-24)17-6-8-19(30)9-7-17/h1-13H,30H2,(H,31,32)/b10-5?,18-11+
InChI key： BGULOUZVMMXPEV-QTVKKQNUSA-N
SMILES： Nc1ccc(cc1)C1=c2cc3OC(=O)C(=c3cc2OC1=O)C=Cc1ccc(/C=C(\C#N)/C(=O)O)cc1
Systematic name  (3)：
  • (E)-3-[4-[2-[7-(4-アミノフェニル)-2,6-ジオキソ-2H,6H-ベンゾ[1,2-b:4,5-b′]ジフラン-3-イル]エテニル]フェニル]-2-シアノアクリル酸
  • (2E)-3-(4-{2-[12-(4-アミノフェニル)-5,11-ジオキソ-4,10-ジオキサトリシクロ[7.3.0.03,7]ドデカ-1(12),2,6,8-テトラエン-6-イル]エテニル}フェニル)-2-シアノプロパ-2-エン酸
  • (2E)-3-(4-{2-[12-(4-aminophenyl)-5,11-dioxo-4,10-dioxatricyclo[7.3.0.03,7]dodeca-1(12),2,6,8-tetraen-6-yl]ethenyl}phenyl)-2-cyanoprop-2-enoic acid
Other name (1)：
  • (E)-3-[4-[2-[7-(4-Aminophenyl)-2,6-dioxo-2H,6H-benzo[1,2-b:4,5-b′]difuran-3-yl]ethenyl]phenyl]-2-cyanoacrylic acid
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