1-[[3,4-bis(oxidanyl)phenyl]methyl]-5-oxidanyl-2H-isoquinolin-6-one

Systemtic Name: 1-[[3,4-bis(oxidanyl)phenyl]methyl]-5-oxidanyl-2H-isoquinolin-6-one Openeye Name: 1-[(3,4-dihydroxyphenyl)methyl]-5-hydroxy-2H-isoquinolin-6-one CAS Name: 1-[(3,4-dihydroxyphenyl)methyl]-5-hydroxy-2H-isoquinolin-6-one IUPAC Name: 1-[(3,4-dihydroxyphenyl)methyl]-5-hydroxy-2H-isoquinolin-6-one Traditional Name: 5-hydroxy-1-protocatechuyl-2H-isoquinolin-6-one Formula: C16H13NO4 MolecularWeight: 283.27872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO4/c18-13-3-1-9(8-15(13)20)7-12-10-2-4-14(19)16(21)11(10)5-6-17-12/h1-6,8,17-18,20-21H,7H2