Chem
J-GLOBAL ID：200907024083723170   Nikkaji number：J1.115.440I

3-(4-Methoxyphenyl)-2,4-di-aci-nitropentanedinitrile

2-(4-メトキシフェニル)プロパンジカルボンイミドイル ジシアニド
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： C12H10N2[N+]2O3[O-]2
Molecular formula furigana： C12-H10-N4-O5
Molecular weight： 290.235
InChI： InChI=1S/C12H10N4O5/c1-21-9-4-2-8(3-5-9)12(10(6-13)15(17)18)11(7-14)16(19)20/h2-5,12H,1H3,(H,17,18)(H,19,20)
InChI key： IMKFMQQLKBCSCY-UHFFFAOYSA-N
SMILES： COc1ccc(cc1)C(C(=[N+](O)[O-])C#N)C(=[N+](O)[O-])C#N
Systematic name  (4)：
  • 1,3-ジシアノ-2-(4-メトキシフェニル)プロパン-1,3-ジニトロン酸
  • 3-(4-メトキシフェニル)-2,4-ジ-aci-ニトロペンタンジニトリル
  • 2-(4-メトキシフェニル)プロパンジカルボンイミドイル ジシアニド
  • 2-(4-methoxyphenyl)propanedicarbonimidoyl dicyanide
Other name (2)：
  • 1,3-Dicyano-2-(4-methoxyphenyl)propane-1,3-dinitronic acid
  • 3-(4-Methoxyphenyl)-2,4-di-aci-nitropentanedinitrile
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