3-(4-chloranyl-5-methyl-2-oxidanyl-phenyl)-3-[4-(dimethylamino)-2-oxidanyl-phenyl]-2-benzofuran-1-one

Systemtic Name: 3-(4-chloranyl-5-methyl-2-oxidanyl-phenyl)-3-[4-(dimethylamino)-2-oxidanyl-phenyl]-2-benzofuran-1-one Openeye Name: 3-(4-chloro-2-hydroxy-5-methyl-phenyl)-3-[4-(dimethylamino)-2-hydroxy-phenyl]isobenzofuran-1-one CAS Name: 3-(4-chloro-2-hydroxy-5-methylphenyl)-3-[4-(dimethylamino)-2-hydroxyphenyl]-1-isobenzofuranone IUPAC Name: 3-(4-chloro-2-hydroxy-5-methylphenyl)-3-[4-(dimethylamino)-2-hydroxyphenyl]-2-benzofuran-1-one Traditional Name: 3-(4-chloro-2-hydroxy-5-methyl-phenyl)-3-[4-(dimethylamino)-2-hydroxy-phenyl]phthalide Formula: C23H20ClNO4 MolecularWeight: 409.8622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C2(C3=CC=CC=C3C(=O)O2)C4=C(C=C(C=C4)N(C)C)O)O)Cl

Isomeric SMILES

CC1=C(C=C(C(=C1)C2(C3=CC=CC=C3C(=O)O2)C4=C(C=C(C=C4)N(C)C)O)O)Cl

InChI

InChI=1S/C23H20ClNO4/c1-13-10-18(21(27)12-19(13)24)23(16-7-5-4-6-15(16)22(28)29-23)17-9-8-14(25(2)3)11-20(17)26/h4-12,26-27H,1-3H3