Chem
J-GLOBAL ID：200907078212328390   Nikkaji number：J342.048E

(3S)-4-Chloroacetylamino-3,4-dihydro-3β-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-carbonitrile

(3S)-4-クロロアセチルアミノ-3,4-ジヒドロ-3β-ヒドロキシ-2,2-ジメチル-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： C14H15ClN2O3
Molecular formula furigana： C14-H15-CL-N2-O3
Molecular weight： 294.740
InChI： InChI=1S/C14H15ClN2O3/c1-14(2)13(19)12(17-11(18)6-15)9-5-8(7-16)3-4-10(9)20-14/h3-5,12-13,19H,6H2,1-2H3,(H,17,18)/t12?,13-/m0/s1
InChI key： UUNUXUGQCZWDMZ-ABLWVSNPSA-N
SMILES： CC1(C)Oc2ccc(cc2C(NC(=O)CCl)[C@@H]1O)C#N
Systematic name  (3)：
  • (3S)-4-クロロアセチルアミノ-3,4-ジヒドロ-3β-ヒドロキシ-2,2-ジメチル-2H-1-ベンゾピラン-6-カルボニトリル
  • 2-クロロ-N-[(3S)-6-シアノ-3-ヒドロキシ-2,2-ジメチル-3,4-ジヒドロ-2H-1-ベンゾピラン-4-イル]アセトアミド
  • 2-chloro-N-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]acetamide
Other name (1)：
  • (3S)-4-Chloroacetylamino-3,4-dihydro-3β-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-carbonitrile
Thsaurus map：
Thesaurus Map

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