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

Systemtic Name: 3-[3-[4-(dimethylamino)-2-oxidanyl-phenyl]-2-methoxy-5-nitro-phenyl]-3H-2-benzofuran-1-one Openeye Name: 3-[3-[4-(dimethylamino)-2-hydroxy-phenyl]-2-methoxy-5-nitro-phenyl]-3H-isobenzofuran-1-one CAS Name: 3-[3-[4-(dimethylamino)-2-hydroxyphenyl]-2-methoxy-5-nitrophenyl]-3H-isobenzofuran-1-one IUPAC Name: 3-[3-[4-(dimethylamino)-2-hydroxyphenyl]-2-methoxy-5-nitrophenyl]-3H-2-benzofuran-1-one Traditional Name: 3-[3-[4-(dimethylamino)-2-hydroxy-phenyl]-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=CC(=CC(=C2OC)C3C4=CC=CC=C4C(=O)O3)[N+](=O)[O-])O

Isomeric SMILES

CN(C)C1=CC(=C(C=C1)C2=CC(=CC(=C2OC)C3C4=CC=CC=C4C(=O)O3)[N+](=O)[O-])O

InChI

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