Chem
J-GLOBAL ID：200907039701566142   Nikkaji number：J884.623E

2,3aα-Bis(methoxycarbonyl)-3,3a,3bα,4,9,9aα-hexahydro-3-oxo-1,10a-diaza-10-oxa-4β,9β-epoxypentaleno[1,2-b]naphthalene 1-oxide

2,3aα-ビス(メトキシカルボニル)-3,3a,3bα,4,9,9aα-ヘキサヒドロ-3-オキソ-1,10a-ジアザ-10-オキサ-4β,9β-エポキシペンタレノ[1,2-b]ナフタレン1-オキシド
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： C17H14N[N+]O7[O-]
Molecular formula furigana： C17-H14-N2-O8
Molecular weight： 374.305
InChI： InChI=1S/C17H14N2O8/c1-24-15(21)10-14(20)17(16(22)25-2)9-11-7-5-3-4-6-8(7)12(26-11)13(9)27-19(17)18(10)23/h3-6,9,11-13H,1-2H3/t9-,11-,12+,13-,17+/m0/s1
InChI key： BPOWVSJQVRYTMP-YQHUTTAYSA-N
SMILES： COC(=O)C1=[N+]([O-])N2O[C@@H]3[C@@H]4O[C@H]([C@@H]3[C@]2(C(=O)OC)C1=O)c1ccccc41
Systematic name  (3)：
  • 2,3aα-ビス(メトキシカルボニル)-3,3a,3bα,4,9,9aα-ヘキサヒドロ-3-オキソ-1,10a-ジアザ-10-オキサ-4β,9β-エポキシペンタレノ[1,2-b]ナフタレン1-オキシド
  • (1R,2S,3R,9S,10R)-3,5-ビス(メトキシカルボニル)-4-オキソ-8,17-ジオキサ-6,7-ジアザペンタシクロ[8.6.1.02,9.03,7.011,16]ヘプタデカ-5,11,13,15-テトラエン-6-イウム-6-オラート
  • (1R,2S,3R,9S,10R)-3,5-bis(methoxycarbonyl)-4-oxo-8,17-dioxa-6,7-diazapentacyclo[8.6.1.02,9.03,7.011,16]heptadeca-5,11,13,15-tetraen-6-ium-6-olate
Other name (1)：
  • 2,3aα-Bis(methoxycarbonyl)-3,3a,3bα,4,9,9aα-hexahydro-3-oxo-1,10a-diaza-10-oxa-4β,9β-epoxypentaleno[1,2-b]naphthalene 1-oxide
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