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

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]carbonyl-6,7-bis(oxidanyl)-2H-isoquinolin-3-one Openeye Name: 1-(3,4-dihydroxybenzoyl)-6,7-dihydroxy-2H-isoquinolin-3-one CAS Name: 1-[(3,4-dihydroxyphenyl)-oxomethyl]-6,7-dihydroxy-2H-isoquinolin-3-one IUPAC Name: 1-(3,4-dihydroxybenzoyl)-6,7-dihydroxy-2H-isoquinolin-3-one Traditional Name: 6,7-dihydroxy-1-protocatechuoyl-3-isoquinolone Formula: C16H11NO6 MolecularWeight: 313.26164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)C2=C3C=C(C(=CC3=CC(=O)N2)O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)C2=C3C=C(C(=CC3=CC(=O)N2)O)O)O)O

InChI

InChI=1S/C16H11NO6/c18-10-2-1-7(3-11(10)19)16(23)15-9-6-13(21)12(20)4-8(9)5-14(22)17-15/h1-6,18-21H,(H,17,22)