Chem
J-GLOBAL ID:200907025335828820   Nikkaji number:J1.655.384K

1-Phenyl-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxylic acid 6-nitro-1,3-benzodioxole-5-ylmethyl ester

1-フェニル-4-オキソ-1,3,8-トリアザスピロ[4.5]デカン-8-カルボン酸6-ニトロ-1,3-ベンゾジオキソール-5-イルメチル
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: C22H22N3[N+]O6[O-]
Molecular formula furigana: C22-H22-N4-O7
Molecular weight: 454.439
InChI: InChI=1S/C22H22N4O7/c27-20-22(25(13-23-20)16-4-2-1-3-5-16)6-8-24(9-7-22)21(28)31-12-15-10-18-19(33-14-32-18)11-17(15)26(29)30/h1-5,10-11H,6-9,12-14H2,(H,23,27)
InChI key: IYMOEEOAMDVNPW-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1cc2OCOc2cc1COC(=O)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Systematic name  (3):
  • 1-フェニル-4-オキソ-1,3,8-トリアザスピロ[4.5]デカン-8-カルボン酸6-ニトロ-1,3-ベンゾジオキソール-5-イルメチル
  • (6-ニトロ-2H-1,3-ベンゾジオキソール-5-イル)メチル 4-オキソ-1-フェニル-1,3,8-トリアザスピロ[4.5]デカン-8-カルボキシラート
  • (6-nitro-2H-1,3-benzodioxol-5-yl)methyl 4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate
Other name (1):
  • 1-Phenyl-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxylic acid 6-nitro-1,3-benzodioxole-5-ylmethyl ester
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