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

Systemtic Name: 1-[[3,4-bis(oxidanyl)phenyl]methyl]-6,7-bis(oxidanyl)-2H-isoquinolin-3-one Openeye Name: 1-[(3,4-dihydroxyphenyl)methyl]-6,7-dihydroxy-2H-isoquinolin-3-one CAS Name: 1-[(3,4-dihydroxyphenyl)methyl]-6,7-dihydroxy-2H-isoquinolin-3-one IUPAC Name: 1-[(3,4-dihydroxyphenyl)methyl]-6,7-dihydroxy-2H-isoquinolin-3-one Traditional Name: 6,7-dihydroxy-1-protocatechuyl-3-isoquinolone Formula: C16H13NO5 MolecularWeight: 299.27812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC2=C3C=C(C(=CC3=CC(=O)N2)O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1CC2=C3C=C(C(=CC3=CC(=O)N2)O)O)O)O

InChI

InChI=1S/C16H13NO5/c18-12-2-1-8(4-13(12)19)3-11-10-7-15(21)14(20)5-9(10)6-16(22)17-11/h1-2,4-7,18-21H,3H2,(H,17,22)