(3Z)-3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-2-[(4-methoxyphenyl)methyl]-4-oxidanyl-isoindol-1-one

Systemtic Name: (3Z)-3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-2-[(4-methoxyphenyl)methyl]-4-oxidanyl-isoindol-1-one Openeye Name: (3Z)-3-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-4-hydroxy-2-[(4-methoxyphenyl)methyl]isoindolin-1-one CAS Name: (3Z)-3-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-4-hydroxy-2-[(4-methoxyphenyl)methyl]-1-isoindolone IUPAC Name: (3Z)-3-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-4-hydroxy-2-[(4-methoxyphenyl)methyl]isoindol-1-one Traditional Name: (3Z)-3-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-4-hydroxy-2-p-anisyl-isoindolin-1-one Formula: C24H18BrNO5 MolecularWeight: 480.30742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=CC3=CC4=C(C=C3Br)OCO4)C5=C(C2=O)C=CC=C5O

Isomeric SMILES

COC1=CC=C(C=C1)CN2/C(=C\C3=CC4=C(C=C3Br)OCO4)/C5=C(C2=O)C=CC=C5O

InChI

InChI=1S/C24H18BrNO5/c1-29-16-7-5-14(6-8-16)12-26-19(23-17(24(26)28)3-2-4-20(23)27)9-15-10-21-22(11-18(15)25)31-13-30-21/h2-11,27H,12-13H2,1H3/b19-9-