Chem
J-GLOBAL ID：200907051775297755   Nikkaji number：J884.628F

3-Oxo-2,3aβ-bis(methoxycarbonyl)-3,3a,3bα,4,7,7aα-hexahydro-4β,7β-methanopyrazolo[1,5-b][1,2]benzisoxazole 1-oxide

3-オキソ-2,3aβ-ビス(メトキシカルボニル)-3,3a,3bα,4,7,7aα-ヘキサヒドロ-4β,7β-メタノピラゾロ[1,5-b][1,2]ベンゾイソオキサゾール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： C14H14N[N+]O6[O-]
Molecular formula furigana： C14-H14-N2-O7
Molecular weight： 322.273
InChI： InChI=1S/C14H14N2O7/c1-21-12(18)9-11(17)14(13(19)22-2)8-6-3-4-7(5-6)10(8)23-16(14)15(9)20/h3-4,6-8,10H,5H2,1-2H3/t6-,7+,8+,10-,14+/m1/s1
InChI key： FGUOKEGLCDWVEN-KNFKBRFUSA-N
SMILES： COC(=O)C1=[N+]([O-])N2O[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3[C@@]2(C(=O)OC)C1=O
Systematic name  (3)：
  • 3-オキソ-2,3aβ-ビス(メトキシカルボニル)-3,3a,3bα,4,7,7aα-ヘキサヒドロ-4β,7β-メタノピラゾロ[1,5-b][1,2]ベンゾイソオキサゾール1-オキシド
  • (1S,2R,3S,9R,10R)-3,5-ビス(メトキシカルボニル)-4-オキソ-8-オキサ-6,7-ジアザテトラシクロ[8.2.1.02,9.03,7]トリデカ-5,11-ジエン-6-イウム-6-オラート
  • (1S,2R,3S,9R,10R)-3,5-bis(methoxycarbonyl)-4-oxo-8-oxa-6,7-diazatetracyclo[8.2.1.02,9.03,7]trideca-5,11-dien-6-ium-6-olate
Other name (1)：
  • 3-Oxo-2,3aβ-bis(methoxycarbonyl)-3,3a,3bα,4,7,7aα-hexahydro-4β,7β-methanopyrazolo[1,5-b][1,2]benzisoxazole 1-oxide
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