1-[[3,4-bis(oxidanyl)phenyl]methyl]-7-oxidanyl-2H-isoquinolin-6-one hydrobromide

Systemtic Name: 1-[[3,4-bis(oxidanyl)phenyl]methyl]-7-oxidanyl-2H-isoquinolin-6-one hydrobromide Openeye Name: 1-[(3,4-dihydroxyphenyl)methyl]-7-hydroxy-2H-isoquinolin-6-one hydrobromide CAS Name: 1-[(3,4-dihydroxyphenyl)methyl]-7-hydroxy-2H-isoquinolin-6-one hydrobromide IUPAC Name: 1-[(3,4-dihydroxyphenyl)methyl]-7-hydroxy-2H-isoquinolin-6-one hydrobromide Traditional Name: 7-hydroxy-1-protocatechuyl-2H-isoquinolin-6-one hydrobromide Formula: C16H14BrNO4 MolecularWeight: 364.19066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC2=C3C=C(C(=O)C=C3C=CN2)O)O)O.Br

Isomeric SMILES

C1=CC(=C(C=C1CC2=C3C=C(C(=O)C=C3C=CN2)O)O)O.Br

InChI

InChI=1S/C16H13NO4.BrH/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12;/h1-4,6-8,17-19,21H,5H2;1H