4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxidanylidene-2H-isoquinoline-3-carboxylic acid

Systemtic Name: 4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxidanylidene-2H-isoquinoline-3-carboxylic acid Openeye Name: 4-(3-bromo-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxo-2H-isoquinoline-3-carboxylic acid CAS Name: 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-2H-isoquinoline-3-carboxylic acid IUPAC Name: 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-2H-isoquinoline-3-carboxylic acid Traditional Name: 4-(3-bromo-4,5-dimethoxy-phenyl)-1-keto-6,7-dimethoxy-2H-isoquinoline-3-carboxylic acid Formula: C20H18BrNO7 MolecularWeight: 464.26342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2=C(NC(=O)C3=CC(=C(C=C32)OC)OC)C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=C(NC(=O)C3=CC(=C(C=C32)OC)OC)C(=O)O)Br)OC

InChI

InChI=1S/C20H18BrNO7/c1-26-13-7-10-11(8-14(13)27-2)19(23)22-17(20(24)25)16(10)9-5-12(21)18(29-4)15(6-9)28-3/h5-8H,1-4H3,(H,22,23)(H,24,25)