Chem
J-GLOBAL ID：200907002100177946   Nikkaji number：J342.058B

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

(3S)-3,4-ジヒドロ-3β-ヒドロキシ-2,2-ジメチル-4-アセチルアミノ-7-ニトロ-2H-1-ベンゾピラン-6-カルボニトリル
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： C14H15N2[N+]O4[O-]
Molecular formula furigana： C14-H15-N3-O5
Molecular weight： 305.290
InChI： InChI=1S/C14H15N3O5/c1-7(18)16-12-9-4-8(6-15)10(17(20)21)5-11(9)22-14(2,3)13(12)19/h4-5,12-13,19H,1-3H3,(H,16,18)/t12?,13-/m0/s1
InChI key： PEIZUFDVKLUKKZ-ABLWVSNPSA-N
SMILES： CC(=O)NC1[C@H](O)C(C)(C)Oc2cc(c(cc12)C#N)[N+](=O)[O-]
Systematic name  (3)：
  • (3S)-3,4-ジヒドロ-3β-ヒドロキシ-2,2-ジメチル-4-アセチルアミノ-7-ニトロ-2H-1-ベンゾピラン-6-カルボニトリル
  • N-[(3S)-6-シアノ-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-cyano-3-hydroxy-2,2-dimethyl-7-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]acetamide
Other name (1)：
  • (3S)-3,4-Dihydro-3β-hydroxy-2,2-dimethyl-4-acetylamino-7-nitro-2H-1-benzopyran-6-carbonitrile
Thsaurus map：
Thesaurus Map

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