(3E)-4,7-dimethoxy-3-[(2-nitro-5-oxidanyl-phenyl)methylidene]-2-benzofuran-1-one

Systemtic Name: (3E)-4,7-dimethoxy-3-[(2-nitro-5-oxidanyl-phenyl)methylidene]-2-benzofuran-1-one Openeye Name: (3E)-3-[(5-hydroxy-2-nitro-phenyl)methylene]-4,7-dimethoxy-isobenzofuran-1-one CAS Name: (3E)-3-[(5-hydroxy-2-nitrophenyl)methylidene]-4,7-dimethoxy-1-isobenzofuranone IUPAC Name: (3E)-3-[(5-hydroxy-2-nitrophenyl)methylidene]-4,7-dimethoxy-2-benzofuran-1-one Traditional Name: (3E)-3-(5-hydroxy-2-nitro-benzylidene)-4,7-dimethoxy-phthalide Formula: C17H13NO7 MolecularWeight: 343.28762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC3=C(C=CC(=C3)O)[N+](=O)[O-])OC(=O)C2=C(C=C1)OC

Isomeric SMILES

COC1=C2/C(=C\C3=C(C=CC(=C3)O)[N+](=O)[O-])/OC(=O)C2=C(C=C1)OC

InChI

InChI=1S/C17H13NO7/c1-23-12-5-6-13(24-2)16-15(12)14(25-17(16)20)8-9-7-10(19)3-4-11(9)18(21)22/h3-8,19H,1-2H3/b14-8+