Chem
J-GLOBAL ID：201707013455690029   Nikkaji number：J3.644.912H

4-(1,1-Dimethyl-2-oxo-2-methoxyethyl)-6-chloroquinoline-1(4H)-carboxylic acid 2,2,2-trichloroethyl ester

4-(1,1-ジメチル-2-オキソ-2-メトキシエチル)-6-クロロキノリン-1(4H)-カルボン酸2,2,2-トリクロロエチル
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： C17H17Cl4NO4
Molecular formula furigana： C17-H17-CL4-N-O4
Molecular weight： 441.130
InChI： InChI=1S/C17H17Cl4NO4/c1-16(2,14(23)25-3)12-6-7-22(15(24)26-9-17(19,20)21)13-5-4-10(18)8-11(12)13/h4-8,12H,9H2,1-3H3
InChI key： RTOLGJWGKZXZNZ-UHFFFAOYSA-N
SMILES： COC(=O)C(C)(C)C1C=CN(C(=O)OCC(Cl)(Cl)Cl)c2ccc(Cl)cc12
Systematic name  (3)：
  • 4-(1,1-ジメチル-2-オキソ-2-メトキシエチル)-6-クロロキノリン-1(4H)-カルボン酸2,2,2-トリクロロエチル
  • 2,2,2-トリクロロエチル 6-クロロ-4-(1-メトキシ-2-メチル-1-オキソプロパン-2-イル)-1,4-ジヒドロキノリン-1-カルボキシラート
  • 2,2,2-trichloroethyl 6-chloro-4-(1-methoxy-2-methyl-1-oxopropan-2-yl)-1,4-dihydroquinoline-1-carboxylate
Other name (1)：
  • 4-(1,1-Dimethyl-2-oxo-2-methoxyethyl)-6-chloroquinoline-1(4H)-carboxylic acid 2,2,2-trichloroethyl ester
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