Chem
J-GLOBAL ID：200907064257911401   Nikkaji number：J704.200K

7-Nitro-9-(4-chlorophenyl)-1,4,10,10a-tetraaza-4H-cyclopenta[a]phenalene-2,3,5,6-tetracarboxylic acid tetraethyl ester

7-ニトロ-9-(4-クロロフェニル)-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エチル
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： C30H26ClN4[N+]O9[O-]
Molecular formula furigana： C30-H26-CL-N5-O10
Molecular weight： 652.010
InChI： InChI=1S/C30H26ClN5O10/c1-5-43-27(37)20-18-19-22(32-23(20)29(39)45-7-3)21(28(38)44-6-2)24(30(40)46-8-4)33-26(19)35-17(25(18)36(41)42)13-16(34-35)14-9-11-15(31)12-10-14/h9-13,32H,5-8H2,1-4H3
InChI key： PPQJLHYUWLOGLU-UHFFFAOYSA-N
SMILES： CCOC(=O)c1nc2c3c([nH]c(C(=O)OCC)c(C(=O)OCC)c3c([N+](=O)[O-])c3cc(nn23)c2ccc(Cl)cc2)c1C(=O)OCC
Systematic name  (3)：
  • 7-ニトロ-9-(4-クロロフェニル)-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エチル
  • 2,3,6,7-テトラエチル 12-(4-クロロフェニル)-15-ニトロ-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-tetraethyl 12-(4-chlorophenyl)-15-nitro-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-(4-chlorophenyl)-1,4,10,10a-tetraaza-4H-cyclopenta[a]phenalene-2,3,5,6-tetracarboxylic acid tetraethyl ester
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