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

Systemtic Name: 1-[[3,4-bis(oxidanyl)phenyl]methyl]-7-oxidanyl-2H-isoquinolin-6-one Openeye Name: 1-[(3,4-dihydroxyphenyl)methyl]-7-hydroxy-2H-isoquinolin-6-one CAS Name: 1-[(3,4-dihydroxyphenyl)methyl]-7-hydroxy-2H-isoquinolin-6-one IUPAC Name: 1-[(3,4-dihydroxyphenyl)methyl]-7-hydroxy-2H-isoquinolin-6-one Traditional Name: 7-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=C(C(=O)C=C3C=CN2)O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO4/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