Chem
J-GLOBAL ID：200907002313956108   Nikkaji number：J352.171K

Ro-31-6930

Ro-31-6930
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： C17H14N[N+]O[O-]
Molecular formula furigana： C17-H14-N2-O2
Molecular weight： 278.311
InChI： InChI=1S/C17H14N2O2/c1-17(2)10-14(15-5-3-4-8-19(15)20)13-9-12(11-18)6-7-16(13)21-17/h3-10H,1-2H3
InChI key： PQVILGHAVGQHRP-UHFFFAOYSA-N
SMILES： CC1(C)Oc2ccc(cc2C(=C1)c1cccc[n+]1[O-])C#N
Systematic name  (4)：
  • 2-(2,2-ジメチル-6-シアノ-2H-1-ベンゾピラン-4-イル)ピリジン1-オキシド
  • 2-(6-シアノ-2,2-ジメチル-2H-1-ベンゾピラン-4-イル)ピリジン1-オキシド
  • 2-(6-シアノ-2,2-ジメチル-2H-クロメン-4-イル)ピリジン-1-イウム-1-オラート
  • 2-(6-cyano-2,2-dimethyl-2H-chromen-4-yl)pyridin-1-ium-1-olate
Other name (4)：
  • Ro-31-6930
  • Ro-316930
  • 2-(6-Cyano-2,2-dimethyl-2H-1-benzopyran-4-yl)pyridine 1-oxide
  • 2-(2,2-Dimethyl-6-cyano-2H-1-benzopyran-4-yl)pyridine 1-oxide
CAS registry number： 120280-37-7
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