Chem
J-GLOBAL ID：200907077964376843   Nikkaji number：J12.663B

Renierone

レニエロン
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： C17H17NO5
Molecular formula furigana： C17-H17-N-O5
Molecular weight： 315.325
InChI： InChI=1S/C17H17NO5/c1-5-9(2)17(21)23-8-12-13-11(6-7-18-12)14(19)10(3)16(22-4)15(13)20/h5-7H,8H2,1-4H3/b9-5-
InChI key： JGSPEFLRDJUZIE-UITAMQMPSA-N
SMILES： COC1=C(C)C(=O)c2ccnc(COC(=O)/C(=C\C)/C)c2C1=O
Systematic name  (4)：
  • (Z)-2-メチル-2-ブテン酸[(5,8-ジヒドロ-7-メトキシ-6-メチル-5,8-ジオキソイソキノリン-1-イル)メチル]
  • (Z)-2-メチル-2-ブテン酸5,8-ジオキソ-6-メチル-7-メトキシイソキノリン-1-イルメチル
  • (7-メトキシ-6-メチル-5,8-ジオキソ-5,8-ジヒドロイソキノリン-1-イル)メチル (2Z)-2-メチルブタ-2-エノアート
  • (7-methoxy-6-methyl-5,8-dioxo-5,8-dihydroisoquinolin-1-yl)methyl (2Z)-2-methylbut-2-enoate
Other name (4)：
  • レニエロン
  • Renierone
  • (Z)-2-Methyl-2-butenoic acid [(5,8-dihydro-7-methoxy-6-methyl-5,8-dioxoisoquinolin-1-yl)methyl] ester
  • (Z)-2-Methyl-2-butenoic acid 5,8-dioxo-6-methyl-7-methoxyisoquinolin-1-ylmethyl ester
CAS registry number： 73777-65-8
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