4-[[3-[bis(oxidanyl)methylidene]-8-bromanyl-6-methoxy-7-oxidanyl-2H-isoquinolin-1-yl]carbonyl]cyclohexa-3,5-diene-1,2-dione

Systemtic Name: 4-[[3-[bis(oxidanyl)methylidene]-8-bromanyl-6-methoxy-7-oxidanyl-2H-isoquinolin-1-yl]carbonyl]cyclohexa-3,5-diene-1,2-dione Openeye Name: 4-[8-bromo-3-(dihydroxymethylene)-7-hydroxy-6-methoxy-2H-isoquinoline-1-carbonyl]-1,2-benzoquinone CAS Name: 4-[[8-bromo-3-(dihydroxymethylidene)-7-hydroxy-6-methoxy-2H-isoquinolin-1-yl]-oxomethyl]cyclohexa-3,5-diene-1,2-dione IUPAC Name: 4-[8-bromo-3-(dihydroxymethylidene)-7-hydroxy-6-methoxy-2H-isoquinoline-1-carbonyl]cyclohexa-3,5-diene-1,2-dione Traditional Name: 4-[8-bromo-3-(dihydroxymethylene)-7-hydroxy-6-methoxy-2H-isoquinoline-1-carbonyl]-o-benzoquinone Formula: C18H12BrNO7 MolecularWeight: 434.19438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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