Chem
J-GLOBAL ID：200907091228462190   Nikkaji number：J757.752D

3,3a,5a-Triaza-as-indacene-1,2-dicarboxylic acid dimethyl ester

3,3a,5a-トリアザ-as-インダセン-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： C13H11N3O4
Molecular formula furigana： C13-H11-N3-O4
Molecular weight： 273.248
InChI： InChI=1S/C13H11N3O4/c1-19-12(17)9-10(13(18)20-2)14-16-7-6-15-5-3-4-8(15)11(9)16/h3-7H,1-2H3
InChI key： FPXYEBIPOVOLII-UHFFFAOYSA-N
SMILES： COC(=O)c1nn2ccn3cccc3c2c1C(=O)OC
Systematic name  (3)：
  • 3,3a,5a-トリアザ-as-インダセン-1,2-ジカルボン酸ジメチル
  • 3,4-ジメチル 5,6,9-トリアザトリシクロ[7.3.0.02,6]ドデカ-1(12),2,4,7,10-ペンタエン-3,4-ジカルボキシラート
  • 3,4-dimethyl 5,6,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene-3,4-dicarboxylate
Other name (1)：
  • 3,3a,5a-Triaza-as-indacene-1,2-dicarboxylic acid dimethyl ester
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