Chem
J-GLOBAL ID：200907030502075701   Nikkaji number：J704.199C

7-Nitro-9-phenyl-1,4,10,10a-tetraaza-4H-cyclopenta[a]phenalene-2,3,5,6-tetracarboxylic acid tetramethyl ester

7-ニトロ-9-フェニル-1,4,10,10a-テトラアザ-4H-シクロペンタ[a]フェナレン-2,3,5,6-テトラカルボン酸テトラメチル
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： C26H19N4[N+]O9[O-]
Molecular formula furigana： C26-H19-N5-O10
Molecular weight： 561.463
InChI： InChI=1S/C26H19N5O10/c1-38-23(32)16-14-15-18(27-19(16)25(34)40-3)17(24(33)39-2)20(26(35)41-4)28-22(15)30-13(21(14)31(36)37)10-12(29-30)11-8-6-5-7-9-11/h5-10,27H,1-4H3
InChI key： SIOFBHLZPMXJJH-UHFFFAOYSA-N
SMILES： COC(=O)c1nc2c3c([nH]c(C(=O)OC)c(C(=O)OC)c3c([N+](=O)[O-])c3cc(nn23)c2ccccc2)c1C(=O)OC
Systematic name  (3)：
  • 7-ニトロ-9-フェニル-1,4,10,10a-テトラアザ-4H-シクロペンタ[a]フェナレン-2,3,5,6-テトラカルボン酸テトラメチル
  • 2,3,6,7-テトラメチル 15-ニトロ-12-フェニル-4,8,10,11-テトラアザテトラシクロ[7.6.1.05,16.010,14]ヘキサデカ-1(15),2,5(16),6,8,11,13-ヘプタエン-2,3,6,7-テトラカルボキシラート
  • 2,3,6,7-tetramethyl 15-nitro-12-phenyl-4,8,10,11-tetraazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),2,5(16),6,8,11,13-heptaene-2,3,6,7-tetracarboxylate
Other name (1)：
  • 7-Nitro-9-phenyl-1,4,10,10a-tetraaza-4H-cyclopenta[a]phenalene-2,3,5,6-tetracarboxylic acid tetramethyl ester
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