(1E)-1-[(2-bromanyl-4,5-dimethoxy-phenyl)methylidene]-6,7-dimethoxy-isoquinoline-3,4-dione

Systemtic Name: (1E)-1-[(2-bromanyl-4,5-dimethoxy-phenyl)methylidene]-6,7-dimethoxy-isoquinoline-3,4-dione Openeye Name: (1E)-1-[(2-bromo-4,5-dimethoxy-phenyl)methylene]-6,7-dimethoxy-isoquinoline-3,4-dione CAS Name: (1E)-1-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-6,7-dimethoxyisoquinoline-3,4-dione IUPAC Name: (1E)-1-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-6,7-dimethoxyisoquinoline-3,4-dione Traditional Name: (1E)-1-(2-bromo-4,5-dimethoxy-benzylidene)-6,7-dimethoxy-isoquinoline-3,4-quinone Formula: C20H18BrNO6 MolecularWeight: 448.26402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C2C3=CC(=C(C=C3C(=O)C(=O)N2)OC)OC)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C/2\C3=CC(=C(C=C3C(=O)C(=O)N2)OC)OC)Br)OC

InChI

InChI=1S/C20H18BrNO6/c1-25-15-6-10(13(21)9-18(15)28-4)5-14-11-7-16(26-2)17(27-3)8-12(11)19(23)20(24)22-14/h5-9H,1-4H3,(H,22,24)/b14-5+