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

Systemtic Name: 3-[3,4-bis(oxidanyl)phenyl]-1-methyl-7-oxidanyl-2H-isoquinolin-6-one hydrochloride Openeye Name: 3-(3,4-dihydroxyphenyl)-7-hydroxy-1-methyl-2H-isoquinolin-6-one hydrochloride CAS Name: 3-(3,4-dihydroxyphenyl)-7-hydroxy-1-methyl-2H-isoquinolin-6-one hydrochloride IUPAC Name: 3-(3,4-dihydroxyphenyl)-7-hydroxy-1-methyl-2H-isoquinolin-6-one hydrochloride Traditional Name: 3-(3,4-dihydroxyphenyl)-7-hydroxy-1-methyl-2H-isoquinolin-6-one hydrochloride Formula: C16H14ClNO4 MolecularWeight: 319.73966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)C=C2C=C(N1)C3=CC(=C(C=C3)O)O)O.Cl

Isomeric SMILES

CC1=C2C=C(C(=O)C=C2C=C(N1)C3=CC(=C(C=C3)O)O)O.Cl

InChI

InChI=1S/C16H13NO4.ClH/c1-8-11-7-16(21)15(20)6-10(11)4-12(17-8)9-2-3-13(18)14(19)5-9;/h2-7,17-19,21H,1H3;1H