Chem
J-GLOBAL ID：200907065667467335   Nikkaji number：J342.057D

(3S)-3,4-Dihydro-4-acetylamino-6-bromo-7-nitro-2,2-dimethyl-2H-1-benzopyran-3β-ol

(3S)-3,4-ジヒドロ-4-アセチルアミノ-6-ブロモ-7-ニトロ-2,2-ジメチル-2H-1-ベンゾピラン-3β-オール
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： C13H15BrN[N+]O4[O-]
Molecular formula furigana： C13-H15-BR-N2-O5
Molecular weight： 359.176
InChI： InChI=1S/C13H15BrN2O5/c1-6(17)15-11-7-4-8(14)9(16(19)20)5-10(7)21-13(2,3)12(11)18/h4-5,11-12,18H,1-3H3,(H,15,17)/t11?,12-/m0/s1
InChI key： GQDWEFMJZSLHJP-KIYNQFGBSA-N
SMILES： CC(=O)NC1[C@H](O)C(C)(C)Oc2cc(c(Br)cc12)[N+](=O)[O-]
Systematic name  (3)：
  • (3S)-3,4-ジヒドロ-4-アセチルアミノ-6-ブロモ-7-ニトロ-2,2-ジメチル-2H-1-ベンゾピラン-3β-オール
  • N-[(3S)-6-ブロモ-3-ヒドロキシ-2,2-ジメチル-7-ニトロ-3,4-ジヒドロ-2H-1-ベンゾピラン-4-イル]アセトアミド
  • N-[(3S)-6-bromo-3-hydroxy-2,2-dimethyl-7-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]acetamide
Other name (1)：
  • (3S)-3,4-Dihydro-4-acetylamino-6-bromo-7-nitro-2,2-dimethyl-2H-1-benzopyran-3β-ol
Thsaurus map：
Thesaurus Map

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