Chem
J-GLOBAL ID：200907001101448483
Nikkaji number：J1.276.953I
(1R,2R,7S)-8,9-(Methyliminobiscarbonyl)-3,4,8,9-tetraazapentacyclo[4.4.2.22,5.27,10.01,6]hexadecane-3,13-diene 3-oxide
(1R,2R,7S)-8,9-(メチルイミノビスカルボニル)-3,4,8,9-テトラアザペンタシクロ[4.4.2.22,5.27,10.01,6]ヘキサデカン-3,13-ジエン3-オキシド
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： C15H17N4[N+]O2[O-]
Molecular formula furigana： C15-H17-N5-O3
Molecular weight： 315.333
InChI：
InChI=1S/C15H17N5O3/c1-17-12(21)18-9-4-5-10(19(18)13(17)22)15-7-6-14(9,15)8-2-3-11(15)20(23)16-8/h4-5,8-11H,2-3,6-7H2,1H3/t8?,9-,10?,11+,14?,15+/m0/s1
InChI key：
JWBQYXMVSXNENH-NQNXRPTESA-N
SMILES：
Cn1c(=O)n2[C@H]3C=CC(n2c1=O)[C@@]12CCC31C1CC[C@H]2[N+](=N1)[O-]
Systematic name (3)：
- (1R,2R,7S)-8,9-(メチルイミノビスカルボニル)-3,4,8,9-テトラアザペンタシクロ[4.4.2.22,5.27,10.01,6]ヘキサデカン-3,13-ジエン3-オキシド
- (2R,3R,8S)-11-メチル-10,12-ジオキソ-4,5,9,11,13-ペンタアザヘキサシクロ[6.5.2.22,7.23,6.02,7.09,13]ノナデカ-4,14-ジエン-4-イウム-4-オラート
- (2R,3R,8S)-11-methyl-10,12-dioxo-4,5,9,11,13-pentaazahexacyclo[6.5.2.22,7.23,6.02,7.09,13]nonadeca-4,14-dien-4-ium-4-olate
- (1R,2R,7S)-8,9-(Methyliminobiscarbonyl)-3,4,8,9-tetraazapentacyclo[4.4.2.22,5.27,10.01,6]hexadecane-3,13-diene 3-oxide
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