6,7-dimethoxy-3-[(5-methyl-2-oxidanyl-phenyl)amino]-3H-2-benzofuran-1-one

Systemtic Name: 6,7-dimethoxy-3-[(5-methyl-2-oxidanyl-phenyl)amino]-3H-2-benzofuran-1-one Openeye Name: 3-(2-hydroxy-5-methyl-anilino)-6,7-dimethoxy-3H-isobenzofuran-1-one CAS Name: 3-(2-hydroxy-5-methylanilino)-6,7-dimethoxy-3H-isobenzofuran-1-one IUPAC Name: 3-(2-hydroxy-5-methylanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one Traditional Name: 3-(2-hydroxy-5-methyl-anilino)-6,7-dimethoxy-phthalide Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)NC2C3=C(C(=C(C=C3)OC)OC)C(=O)O2

Isomeric SMILES

CC1=CC(=C(C=C1)O)NC2C3=C(C(=C(C=C3)OC)OC)C(=O)O2

InChI

InChI=1S/C17H17NO5/c1-9-4-6-12(19)11(8-9)18-16-10-5-7-13(21-2)15(22-3)14(10)17(20)23-16/h4-8,16,18-19H,1-3H3