1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-1,6,7-trimethoxy-2H-isoquinoline-3,4-dione

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-1,6,7-trimethoxy-2H-isoquinoline-3,4-dione Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-1,6,7-trimethoxy-2H-isoquinoline-3,4-dione CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,6,7-trimethoxy-2H-isoquinoline-3,4-dione IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,6,7-trimethoxy-2H-isoquinoline-3,4-dione Traditional Name: 1-(2-bromo-4,5-dimethoxy-benzyl)-1,6,7-trimethoxy-2H-isoquinoline-3,4-quinone Formula: C21H22BrNO7 MolecularWeight: 480.30588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC2(C3=CC(=C(C=C3C(=O)C(=O)N2)OC)OC)OC)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC2(C3=CC(=C(C=C3C(=O)C(=O)N2)OC)OC)OC)Br)OC

InChI

InChI=1S/C21H22BrNO7/c1-26-15-6-11(14(22)9-18(15)29-4)10-21(30-5)13-8-17(28-3)16(27-2)7-12(13)19(24)20(25)23-21/h6-9H,10H2,1-5H3,(H,23,25)