Chem
J-GLOBAL ID：200907046698826410   Nikkaji number：J953.097E

(3aS)-2,3aβ-Dimethyl-3-oxo-3,3a,3bβ,4,9,9aβ-hexahydro-4β,9β-epoxy-10-oxa-1,10a-diazapentaleno[1,2-b]naphthalene 1-oxide

(3aS)-2,3aβ-ジメチル-3-オキソ-3,3a,3bβ,4,9,9aβ-ヘキサヒドロ-4β,9β-エポキシ-10-オキサ-1,10a-ジアザペンタレノ[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： C15H14N[N+]O3[O-]
Molecular formula furigana： C15-H14-N2-O4
Molecular weight： 286.287
InChI： InChI=1S/C15H14N2O4/c1-7-14(18)15(2)10-11-8-5-3-4-6-9(8)12(20-11)13(10)21-17(15)16(7)19/h3-6,10-13H,1-2H3/t10-,11+,12-,13-,15+/m1/s1
InChI key： JDYZKNZODTVCDW-OKWIKPQFSA-N
SMILES： CC1=[N+]([O-])N2O[C@H]3[C@@H]4O[C@H]([C@H]3[C@@]2(C)C1=O)c1ccccc41
Systematic name  (3)：
  • (3aS)-2,3aβ-ジメチル-3-オキソ-3,3a,3bβ,4,9,9aβ-ヘキサヒドロ-4β,9β-エポキシ-10-オキサ-1,10a-ジアザペンタレノ[1,2-b]ナフタレン1-オキシド
  • (1R,2R,3S,9R,10R)-3,5-ジメチル-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,2R,3S,9R,10R)-3,5-dimethyl-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)：
  • (3aS)-2,3aβ-Dimethyl-3-oxo-3,3a,3bβ,4,9,9aβ-hexahydro-4β,9β-epoxy-10-oxa-1,10a-diazapentaleno[1,2-b]naphthalene 1-oxide
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