Chem
J-GLOBAL ID：200907056544510040   Nikkaji number：J2.738.897C

2-[3-(2,5-Dihydroxy-4-methoxyanilino)-3-oxopropyl]-3-chloro-4,6-dihydroxybenzoic acid methyl ester

2-[3-(2,5-ジヒドロキシ-4-メトキシアニリノ)-3-オキソプロピル]-3-クロロ-4,6-ジヒドロキシ安息香酸メチル
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： C18H18ClNO8
Molecular formula furigana： C18-H18-CL-N-O8
Molecular weight： 411.790
InChI： InChI=1S/C18H18ClNO8/c1-27-14-7-10(21)9(5-11(14)22)20-15(25)4-3-8-16(18(26)28-2)12(23)6-13(24)17(8)19/h5-7,21-24H,3-4H2,1-2H3,(H,20,25)
InChI key： GUVWEHNRWHNDRF-UHFFFAOYSA-N
SMILES： COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1cc(O)c(OC)cc1O
Systematic name  (3)：
  • 2-[3-(2,5-ジヒドロキシ-4-メトキシアニリノ)-3-オキソプロピル]-3-クロロ-4,6-ジヒドロキシ安息香酸メチル
  • メチル 3-クロロ-2-{2-[(2,5-ジヒドロキシ-4-メトキシフェニル)カルバモイル]エチル}-4,6-ジヒドロキシベンゾアート
  • methyl 3-chloro-2-{2-[(2,5-dihydroxy-4-methoxyphenyl)carbamoyl]ethyl}-4,6-dihydroxybenzoate
Other name (1)：
  • 2-[3-(2,5-Dihydroxy-4-methoxyanilino)-3-oxopropyl]-3-chloro-4,6-dihydroxybenzoic acid methyl ester
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