Chem
J-GLOBAL ID：201707010430403913   Nikkaji number：J3.554.011C

2-Oxo-4-((1S,2R)-1-hydroxy-1,2-dihydronaphthalene-2-yl)methyl-6,8-dibromo-2H-1-benzopyran-3-carbonitrile

6,8-ジブロモ-4-{[(1S,2R)-1-ヒドロキシ-1,2-ジヒドロナフタレン-2-イル]メチル}-2-オキソ-2H-クロメン-3-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： C21H13Br2NO3
Molecular formula furigana： C21-H13-BR2-N-O3
Molecular weight： 487.147
InChI： InChI=1S/C21H13Br2NO3/c22-13-8-16-15(17(10-24)21(26)27-20(16)18(23)9-13)7-12-6-5-11-3-1-2-4-14(11)19(12)25/h1-6,8-9,12,19,25H,7H2/t12-,19-/m0/s1
InChI key： NJSHZZIZKNTRRA-BUXKBTBVSA-N
SMILES： O[C@H]1[C@H](Cc2c(C#N)c(=O)oc3c(Br)cc(Br)cc23)C=Cc2ccccc12
Systematic name  (3)：
  • 2-オキソ-4-((1S,2R)-1-ヒドロキシ-1,2-ジヒドロナフタレン-2-イル)メチル-6,8-ジブロモ-2H-1-ベンゾピラン-3-カルボニトリル
  • 6,8-ジブロモ-4-{[(1S,2R)-1-ヒドロキシ-1,2-ジヒドロナフタレン-2-イル]メチル}-2-オキソ-2H-クロメン-3-カルボニトリル
  • 6,8-dibromo-4-{[(1S,2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl]methyl}-2-oxo-2H-chromene-3-carbonitrile
Other name (1)：
  • 2-Oxo-4-((1S,2R)-1-hydroxy-1,2-dihydronaphthalene-2-yl)methyl-6,8-dibromo-2H-1-benzopyran-3-carbonitrile
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