Chem
J-GLOBAL ID：200907028974224994
Nikkaji number：J342.073F
(3S)-3,4-Dihydro-3β-hydroxy-2,2-dimethyl-4-(3-trichloroacetylureido)-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-(3-トリクロロアセチルウレイド)-2H-1-ベンゾピラン-6-カルボニトリル
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
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
Molecular formula： C15H14Cl3N3O4
Molecular formula furigana： C15-H14-CL3-N3-O4
Molecular weight： 406.640
InChI：
InChI=1S/C15H14Cl3N3O4/c1-14(2)11(22)10(20-13(24)21-12(23)15(16,17)18)8-5-7(6-19)3-4-9(8)25-14/h3-5,10-11,22H,1-2H3,(H2,20,21,23,24)/t10?,11-/m0/s1
InChI key：
OKZVFSUCSOMLGS-DTIOYNMSSA-N
SMILES：
CC1(C)Oc2ccc(cc2C(NC(=O)NC(=O)C(Cl)(Cl)Cl)[C@@H]1O)C#N
Systematic name (3)：
- (3S)-3,4-ジヒドロ-3β-ヒドロキシ-2,2-ジメチル-4-(3-トリクロロアセチルウレイド)-2H-1-ベンゾピラン-6-カルボニトリル
- 1-[(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]-3-(2,2,2-トリクロロアセチル)尿素
- 1-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3-(2,2,2-trichloroacetyl)urea
- (3S)-3,4-Dihydro-3β-hydroxy-2,2-dimethyl-4-(3-trichloroacetylureido)-2H-1-benzopyran-6-carbonitrile
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