7-azanyl-1-(2-bromanyl-3,4,5-trimethoxy-phenyl)-6-methoxy-isoquinoline-5,8-dione

Systemtic Name: 7-azanyl-1-(2-bromanyl-3,4,5-trimethoxy-phenyl)-6-methoxy-isoquinoline-5,8-dione Openeye Name: 7-amino-1-(2-bromo-3,4,5-trimethoxy-phenyl)-6-methoxy-isoquinoline-5,8-dione CAS Name: 7-amino-1-(2-bromo-3,4,5-trimethoxyphenyl)-6-methoxyisoquinoline-5,8-dione IUPAC Name: 7-amino-1-(2-bromo-3,4,5-trimethoxyphenyl)-6-methoxyisoquinoline-5,8-dione Traditional Name: 7-amino-1-(2-bromo-3,4,5-trimethoxy-phenyl)-6-methoxy-isoquinoline-5,8-quinone Formula: C19H17BrN2O6 MolecularWeight: 449.25208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C2=NC=CC3=C2C(=O)C(=C(C3=O)OC)N)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C2=NC=CC3=C2C(=O)C(=C(C3=O)OC)N)Br)OC)OC

InChI

InChI=1S/C19H17BrN2O6/c1-25-10-7-9(12(20)18(27-3)17(10)26-2)14-11-8(5-6-22-14)15(23)19(28-4)13(21)16(11)24/h5-7H,21H2,1-4H3