3-[2,5-bis(oxidanyl)phenyl]carbonyl-2-(4-methylphenyl)-3H-isoindol-1-one

Systemtic Name: 3-[2,5-bis(oxidanyl)phenyl]carbonyl-2-(4-methylphenyl)-3H-isoindol-1-one Openeye Name: 3-(2,5-dihydroxybenzoyl)-2-(p-tolyl)isoindolin-1-one CAS Name: 3-[(2,5-dihydroxyphenyl)-oxomethyl]-2-(4-methylphenyl)-3H-isoindol-1-one IUPAC Name: 3-(2,5-dihydroxybenzoyl)-2-(4-methylphenyl)-3H-isoindol-1-one Traditional Name: 3-gentisoyl-2-(p-tolyl)isoindolin-1-one Formula: C22H17NO4 MolecularWeight: 359.37468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C3=CC=CC=C3C2=O)C(=O)C4=C(C=CC(=C4)O)O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(C3=CC=CC=C3C2=O)C(=O)C4=C(C=CC(=C4)O)O

InChI

InChI=1S/C22H17NO4/c1-13-6-8-14(9-7-13)23-20(16-4-2-3-5-17(16)22(23)27)21(26)18-12-15(24)10-11-19(18)25/h2-12,20,24-25H,1H3