Chem
J-GLOBAL ID:200907027547019208   Nikkaji number:J2.244.927C

4,5aβ-Dinitro-7,8-dimethyl-5a,6,9,9aβ-tetrahydronaphtho[1,2-c][1,2,5]oxadiazole 1-oxide

4,5aβ-ジニトロ-7,8-ジメチル-5a,6,9,9aβ-テトラヒドロナフト[1,2-c][1,2,5]オキサジアゾール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: C12H12N[N+]3O3[O-]3
Molecular formula furigana: C12-H12-N4-O6
Molecular weight: 308.250
InChI: InChI=1S/C12H12N4O6/c1-6-3-8-11-10(13-22-15(11)19)9(14(17)18)5-12(8,16(20)21)4-7(6)2/h5,8H,3-4H2,1-2H3/t8-,12-/m1/s1
InChI key: ZBBLVKRXLQVCHA-PRHODGIISA-N
SMILES: CC1=C(C)C[C@]2(C=C(c3no[n+]([O-])c3[C@H]2C1)[N+](=O)[O-])[N+](=O)[O-]
Systematic name  (3):
  • 4,5aβ-ジニトロ-7,8-ジメチル-5a,6,9,9aβ-テトラヒドロナフト[1,2-c][1,2,5]オキサジアゾール1-オキシド
  • (5aR,9aS)-7,8-ジメチル-4,5a-ジニトロ-5aH,6H,9H,9aH-ナフト[1,2-c][1,2,5]オキサジアゾール-1-イウム-1-オラート
  • (5aR,9aS)-7,8-dimethyl-4,5a-dinitro-5aH,6H,9H,9aH-naphtho[1,2-c][1,2,5]oxadiazol-1-ium-1-olate
Other name (1):
  • 4,5aβ-Dinitro-7,8-dimethyl-5a,6,9,9aβ-tetrahydronaphtho[1,2-c][1,2,5]oxadiazole 1-oxide
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