Chem
J-GLOBAL ID：200907077855124699   Nikkaji number：J704.203E

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

9-メチル-1,4,7,10,10a-ペンタアザ-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： C20H17N5O8
Molecular formula furigana： C20-H17-N5-O8
Molecular weight： 455.383
InChI： InChI=1S/C20H17N5O8/c1-7-6-8-21-12-9-13(22-14(19(28)32-4)10(12)17(26)30-2)11(18(27)31-3)15(20(29)33-5)23-16(9)25(8)24-7/h6,22H,1-5H3
InChI key： YXBDXKFOQYTHOP-UHFFFAOYSA-N
SMILES： COC(=O)c1nc2c3c(nc4cc(C)nn24)c(C(=O)OC)c([nH]c3c1C(=O)OC)C(=O)OC
Systematic name  (3)：
  • 9-メチル-1,4,7,10,10a-ペンタアザ-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 12-メチル-4,8,10,11,15-ペンタアザテトラシクロ[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 12-methyl-4,8,10,11,15-pentaazatetracyclo[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)：
  • 9-Methyl-1,4,7,10,10a-pentaaza-4H-cyclopenta[a]phenalene-2,3,5,6-tetracarboxylic acid tetramethyl ester
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