Chem
J-GLOBAL ID：201607012935573770   Nikkaji number：J3.518.710C

2-Methyl-6-chloro-4α-(nitromethyl)-1,4-dihydroquinoline-1,3-dicarboxylic acid 1-benzyl 3-ethyl ester

2-メチル-6-クロロ-4α-(ニトロメチル)-1,4-ジヒドロキノリン-1,3-ジカルボン酸1-ベンジル3-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： C22H21ClN[N+]O5[O-]
Molecular formula furigana： C22-H21-CL-N2-O6
Molecular weight： 444.870
InChI： InChI=1S/C22H21ClN2O6/c1-3-30-21(26)20-14(2)25(22(27)31-13-15-7-5-4-6-8-15)19-10-9-16(23)11-17(19)18(20)12-24(28)29/h4-11,18H,3,12-13H2,1-2H3/t18-/m1/s1
InChI key： WNIJOPJFEGWXKE-GOSISDBHSA-N
SMILES： CCOC(=O)C1=C(C)N(C(=O)OCc2ccccc2)c2ccc(Cl)cc2[C@H]1C[N+](=O)[O-]
Systematic name  (3)：
  • 2-メチル-6-クロロ-4α-(ニトロメチル)-1,4-ジヒドロキノリン-1,3-ジカルボン酸1-ベンジル3-エチル
  • 1-ベンジル 3-エチル (4R)-6-クロロ-2-メチル-4-(ニトロメチル)-1,4-ジヒドロキノリン-1,3-ジカルボキシラート
  • 1-benzyl 3-ethyl (4R)-6-chloro-2-methyl-4-(nitromethyl)-1,4-dihydroquinoline-1,3-dicarboxylate
Other name (1)：
  • 2-Methyl-6-chloro-4α-(nitromethyl)-1,4-dihydroquinoline-1,3-dicarboxylic acid 1-benzyl 3-ethyl ester
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