Chem
J-GLOBAL ID：200907002801585666   Nikkaji number：J1.528.274F

5-Acetyl-2,6-dimethyl-7-(methoxycarbonyl)-1H-pyrrolotetrazole-2-ium-1-ide

5-アセチル-2,6-ジメチル-7-(メトキシカルボニル)-1H-ピロロテトラゾール-2-イウム-1-イド
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： C10H12N2[N-][N+]O3
Molecular formula furigana： C10-H12-N4-O3
Molecular weight： 236.231
InChI： InChI=1S/C10H12N4O3/c1-5-7(10(16)17-4)9-11-13(3)12-14(9)8(5)6(2)15/h1-4H3
InChI key： YDHOSAAVYUWRAR-UHFFFAOYSA-N
SMILES： COC(=O)c1c(C)c(C(=O)C)n2n[n+](C)[n-]c12
Systematic name  (3)：
  • 5-アセチル-2,6-ジメチル-7-(メトキシカルボニル)-1H-ピロロテトラゾール-2-イウム-1-イド
  • 5-アセチル-7-(メトキシカルボニル)-2,6-ジメチル-1H-ピロロ[1,2-d][1,2,3,4]テトラゾール-2-イウム-1-イド
  • 5-acetyl-7-(methoxycarbonyl)-2,6-dimethyl-1H-pyrrolo[1,2-d][1,2,3,4]tetrazol-2-ium-1-ide
Other name (1)：
  • 5-Acetyl-2,6-dimethyl-7-(methoxycarbonyl)-1H-pyrrolotetrazole-2-ium-1-ide
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