Chem
J-GLOBAL ID：200907045106156267
Nikkaji number：J1.107.596G
6-Nitro-6-(4-nitrobenzyl)-1,4,8,11-tetraazacyclotetradecane
6-ニトロ-6-(4-ニトロベンジル)-1,4,8,11-テトラアザシクロテトラデカン
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
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
Molecular formula： C17H28N4[N+]2O2[O-]2
Molecular formula furigana： C17-H28-N6-O4
Molecular weight： 380.449
InChI：
InChI=1S/C17H28N6O4/c24-22(25)16-4-2-15(3-5-16)12-17(23(26)27)13-20-10-8-18-6-1-7-19-9-11-21-14-17/h2-5,18-21H,1,6-14H2
InChI key：
RSTPYRSDJGHYRE-UHFFFAOYSA-N
SMILES：
[O-][N+](=O)c1ccc(CC2(CNCCNCCCNCCNC2)[N+](=O)[O-])cc1
Systematic name (3)：
- 6-ニトロ-6-(4-ニトロベンジル)-1,4,8,11-テトラアザシクロテトラデカン
- 6-ニトロ-6-[(4-ニトロフェニル)メチル]-1,4,8,11-テトラアザシクロテトラデカン
- 6-nitro-6-[(4-nitrophenyl)methyl]-1,4,8,11-tetraazacyclotetradecane
- 6-Nitro-6-(4-nitrobenzyl)-1,4,8,11-tetraazacyclotetradecane
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