3-[4-(dimethylamino)-2-oxidanyl-phenyl]-3-(2-methoxy-5-nitro-phenyl)-2-benzofuran-1-one

Systemtic Name: 3-[4-(dimethylamino)-2-oxidanyl-phenyl]-3-(2-methoxy-5-nitro-phenyl)-2-benzofuran-1-one Openeye Name: 3-[4-(dimethylamino)-2-hydroxy-phenyl]-3-(2-methoxy-5-nitro-phenyl)isobenzofuran-1-one CAS Name: 3-[4-(dimethylamino)-2-hydroxyphenyl]-3-(2-methoxy-5-nitrophenyl)-1-isobenzofuranone IUPAC Name: 3-[4-(dimethylamino)-2-hydroxyphenyl]-3-(2-methoxy-5-nitrophenyl)-2-benzofuran-1-one Traditional Name: 3-[4-(dimethylamino)-2-hydroxy-phenyl]-3-(2-methoxy-5-nitro-phenyl)phthalide Formula: C23H20N2O6 MolecularWeight: 420.4147

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=C(C=CC(=C4)[N+](=O)[O-])OC)O

Isomeric SMILES

CN(C)C1=CC(=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=C(C=CC(=C4)[N+](=O)[O-])OC)O

InChI

InChI=1S/C23H20N2O6/c1-24(2)14-8-10-18(20(26)13-14)23(17-7-5-4-6-16(17)22(27)31-23)19-12-15(25(28)29)9-11-21(19)30-3/h4-13,26H,1-3H3