Chem
J-GLOBAL ID:200907092994175191   Nikkaji number:J342.055H

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

(3S)-3,4-ジヒドロ-4,7-ビス(アセチルアミノ)-6-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: C15H19N2[N+]O5[O-]
Molecular formula furigana: C15-H19-N3-O6
Molecular weight: 337.332
InChI: InChI=1S/C15H19N3O6/c1-7(19)16-10-6-12-9(5-11(10)18(22)23)13(17-8(2)20)14(21)15(3,4)24-12/h5-6,13-14,21H,1-4H3,(H,16,19)(H,17,20)/t13?,14-/m0/s1
InChI key: RWPIKYXHXPEWNF-KZUDCZAMSA-N
SMILES: CC(=O)NC1[C@H](O)C(C)(C)Oc2cc(NC(=O)C)c(cc12)[N+](=O)[O-]
Systematic name  (3):
  • (3S)-3,4-ジヒドロ-4,7-ビス(アセチルアミノ)-6-ニトロ-2,2-ジメチル-2H-1-ベンゾピラン-3β-オール
  • N-[(3S)-7-アセトアミド-3-ヒドロキシ-2,2-ジメチル-6-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)-7-acetamido-3-hydroxy-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]acetamide
Other name (1):
  • (3S)-3,4-Dihydro-4,7-bis(acetylamino)-6-nitro-2,2-dimethyl-2H-1-benzopyran-3β-ol
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