Chem
J-GLOBAL ID：201207048278519790   Nikkaji number：J3.110.596J

3-Chloro-4-methyl-7-hydroxy-8-[(pyrrolidine 1-oxide)-1-ylmethyl]coumarin

3-クロロ-4-メチル-7-ヒドロキシ-8-[(ピロリジン1-オキシド)-1-イルメチル]クマリン
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： C15H16Cl[N+]O3[O-]
Molecular formula furigana： C15-H16-CL-N-O4
Molecular weight： 309.750
InChI： InChI=1S/C15H16ClNO4/c1-9-10-4-5-12(18)11(8-17(20)6-2-3-7-17)14(10)21-15(19)13(9)16/h4-5,18H,2-3,6-8H2,1H3
InChI key： ASVQJETZSQVCKQ-UHFFFAOYSA-N
SMILES： Cc1c(Cl)c(=O)oc2c(C[N+]3([O-])CCCC3)c(O)ccc12
Systematic name  (3)：
  • 3-クロロ-4-メチル-7-ヒドロキシ-8-[(ピロリジン1-オキシド)-1-イルメチル]クマリン
  • 1-[(3-クロロ-7-ヒドロキシ-4-メチル-2-オキソ-2H-クロメン-8-イル)メチル]ピロリジン-1-イウム-1-オラート
  • 1-[(3-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]pyrrolidin-1-ium-1-olate
Other name (1)：
  • 3-Chloro-4-methyl-7-hydroxy-8-[(pyrrolidine 1-oxide)-1-ylmethyl]coumarin
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