Chem
J-GLOBAL ID：200907000054604181   Nikkaji number：J634.553K

1,1′-(2-Nitro-p-phenylenebismethylene)bis(1,4,8,11-tetraazacyclotetradecane)

1,1′-(2-ニトロ-p-フェニレンビスメチレン)ビス(1,4,8,11-テトラアザシクロテトラデカン)
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： C28H53N8[N+]O[O-]
Molecular formula furigana： C28-H53-N9-O2
Molecular weight： 547.793
InChI： InChI=1S/C28H53N9O2/c38-37(39)28-23-26(24-35-19-3-11-31-15-13-29-7-1-9-33-17-21-35)5-6-27(28)25-36-20-4-12-32-16-14-30-8-2-10-34-18-22-36/h5-6,23,29-34H,1-4,7-22,24-25H2
InChI key： PVQJXUBDIITLCV-UHFFFAOYSA-N
SMILES： [O-][N+](=O)c1cc(CN2CCCNCCNCCCNCC2)ccc1CN1CCCNCCNCCCNCC1
Systematic name  (4)：
  • 1,1′-(2-ニトロ-p-フェニレンビスメチレン)ビス(1,4,8,11-テトラアザシクロテトラデカン)
  • 1,1′-[(2-ニトロ-1,4-フェニレン)ビスメチレン]ビス(1,4,8,11-テトラアザシクロテトラデカン)
  • 1-({3-ニトロ-4-[(1,4,8,11-テトラアザシクロテトラデカン-1-イル)メチル]フェニル}メチル)-1,4,8,11-テトラアザシクロテトラデカン
  • 1-({3-nitro-4-[(1,4,8,11-tetraazacyclotetradecan-1-yl)methyl]phenyl}methyl)-1,4,8,11-tetraazacyclotetradecane
Other name (2)：
  • 1,1′-[(2-Nitro-1,4-phenylene)bismethylene]bis(1,4,8,11-tetraazacyclotetradecane)
  • 1,1′-(2-Nitro-p-phenylenebismethylene)bis(1,4,8,11-tetraazacyclotetradecane)
Thsaurus map：
Thesaurus Map

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