Chem
J-GLOBAL ID：200907027975559934   Nikkaji number：J1.773.914J

4-[(Propanedinitrile-2-ide)-2-yl]phenylbis(1,2-dihydro-1-methyl-2-oxocyclohepta[b]pyrrole-3-yl)methylcation

{4-[ビス({1-メチル-2-オキソ-1H,2H-シクロヘプタ[b]ピロール-3-イル})メチリウミル]フェニル}ジシアノメタニド
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： C28[C-][C+]H20N4O2
Molecular formula furigana： C30-H20-N4-O2
Molecular weight： 468.516
InChI： InChI=1S/C30H20N4O2/c1-33-24-11-7-3-5-9-22(24)27(29(33)35)26(20-15-13-19(14-16-20)21(17-31)18-32)28-23-10-6-4-8-12-25(23)34(2)30(28)36/h3-16H,1-2H3
InChI key： HBWQDNAQYGCXSE-UHFFFAOYSA-N
SMILES： Cn1c2cccccc2c([C+](c2c3cccccc3n(C)c2=O)c2ccc(cc2)[C-](C#N)C#N)c1=O
Systematic name  (3)：
  • 4-[(プロパンジニトリル-2-イド)-2-イル]フェニルビス(1,2-ジヒドロ-1-メチル-2-オキソシクロヘプタ[b]ピロール-3-イル)メチルカチオン
  • {4-[ビス({1-メチル-2-オキソ-1H,2H-シクロヘプタ[b]ピロール-3-イル})メチリウミル]フェニル}ジシアノメタニド
  • {4-[bis({1-methyl-2-oxo-1H,2H-cyclohepta[b]pyrrol-3-yl})methyliumyl]phenyl}dicyanomethanide
Other name (1)：
  • 4-[(Propanedinitrile-2-ide)-2-yl]phenylbis(1,2-dihydro-1-methyl-2-oxocyclohepta[b]pyrrole-3-yl)methylcation
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