2-ethenyl-3-[6-(hydroxymethyl)-1,3-benzodioxol-5-yl]-6,7-dimethoxy-isoquinolin-1-one

Systemtic Name: 2-ethenyl-3-[6-(hydroxymethyl)-1,3-benzodioxol-5-yl]-6,7-dimethoxy-isoquinolin-1-one Openeye Name: 3-[6-(hydroxymethyl)-1,3-benzodioxol-5-yl]-6,7-dimethoxy-2-vinyl-isoquinolin-1-one CAS Name: 2-ethenyl-3-[6-(hydroxymethyl)-1,3-benzodioxol-5-yl]-6,7-dimethoxy-1-isoquinolinone IUPAC Name: 2-ethenyl-3-[6-(hydroxymethyl)-1,3-benzodioxol-5-yl]-6,7-dimethoxyisoquinolin-1-one Traditional Name: 6,7-dimethoxy-3-(6-methylol-1,3-benzodioxol-5-yl)-2-vinyl-isocarbostyril Formula: C21H19NO6 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(N(C2=O)C=C)C3=CC4=C(C=C3CO)OCO4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(N(C2=O)C=C)C3=CC4=C(C=C3CO)OCO4)OC

InChI

InChI=1S/C21H19NO6/c1-4-22-16(14-8-20-19(27-11-28-20)7-13(14)10-23)5-12-6-17(25-2)18(26-3)9-15(12)21(22)24/h4-9,23H,1,10-11H2,2-3H3