2-[2-(6-bromanyl-1,3-benzodioxol-5-yl)ethyl]-6,7-dimethoxy-3-methylidene-isoindol-1-one

Systemtic Name: 2-[2-(6-bromanyl-1,3-benzodioxol-5-yl)ethyl]-6,7-dimethoxy-3-methylidene-isoindol-1-one Openeye Name: 2-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]-6,7-dimethoxy-3-methylene-isoindolin-1-one CAS Name: 2-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]-6,7-dimethoxy-3-methylene-1-isoindolone IUPAC Name: 2-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]-6,7-dimethoxy-3-methylideneisoindol-1-one Traditional Name: 2-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]-6,7-dimethoxy-3-methylene-isoindolin-1-one Formula: C20H18BrNO5 MolecularWeight: 432.26462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=C)N(C2=O)CCC3=CC4=C(C=C3Br)OCO4)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=C)N(C2=O)CCC3=CC4=C(C=C3Br)OCO4)OC

InChI

InChI=1S/C20H18BrNO5/c1-11-13-4-5-15(24-2)19(25-3)18(13)20(23)22(11)7-6-12-8-16-17(9-14(12)21)27-10-26-16/h4-5,8-9H,1,6-7,10H2,2-3H3