4-[[3-[bis(oxidanyl)methylidene]-5-bromanyl-7-methoxy-6-oxidanyl-2H-isoquinolin-1-yl]carbonyl]cyclohexa-3,5-diene-1,2-dione

Systemtic Name: 4-[[3-[bis(oxidanyl)methylidene]-5-bromanyl-7-methoxy-6-oxidanyl-2H-isoquinolin-1-yl]carbonyl]cyclohexa-3,5-diene-1,2-dione Openeye Name: 4-[5-bromo-3-(dihydroxymethylene)-6-hydroxy-7-methoxy-2H-isoquinoline-1-carbonyl]-1,2-benzoquinone CAS Name: 4-[[5-bromo-3-(dihydroxymethylidene)-6-hydroxy-7-methoxy-2H-isoquinolin-1-yl]-oxomethyl]cyclohexa-3,5-diene-1,2-dione IUPAC Name: 4-[5-bromo-3-(dihydroxymethylidene)-6-hydroxy-7-methoxy-2H-isoquinoline-1-carbonyl]cyclohexa-3,5-diene-1,2-dione Traditional Name: 4-[5-bromo-3-(dihydroxymethylene)-6-hydroxy-7-methoxy-2H-isoquinoline-1-carbonyl]-o-benzoquinone Formula: C18H12BrNO7 MolecularWeight: 434.19438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(NC(=C(O)O)C=C2C(=C1O)Br)C(=O)C3=CC(=O)C(=O)C=C3

Isomeric SMILES

COC1=CC2=C(NC(=C(O)O)C=C2C(=C1O)Br)C(=O)C3=CC(=O)C(=O)C=C3

InChI

InChI=1S/C18H12BrNO7/c1-27-13-6-9-8(14(19)17(13)24)5-10(18(25)26)20-15(9)16(23)7-2-3-11(21)12(22)4-7/h2-6,20,24-26H,1H3