(3E)-5,6-dimethoxy-3-[(2-nitro-5-phenylmethoxy-phenyl)methylidene]-2-benzofuran-1-one

Systemtic Name: (3E)-5,6-dimethoxy-3-[(2-nitro-5-phenylmethoxy-phenyl)methylidene]-2-benzofuran-1-one Openeye Name: (3E)-3-[(5-benzyloxy-2-nitro-phenyl)methylene]-5,6-dimethoxy-isobenzofuran-1-one CAS Name: (3E)-5,6-dimethoxy-3-[(2-nitro-5-phenylmethoxyphenyl)methylidene]-1-isobenzofuranone IUPAC Name: (3E)-5,6-dimethoxy-3-[(2-nitro-5-phenylmethoxyphenyl)methylidene]-2-benzofuran-1-one Traditional Name: (3E)-3-(5-benzoxy-2-nitro-benzylidene)-5,6-dimethoxy-phthalide Formula: C24H19NO7 MolecularWeight: 433.41016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CC3=C(C=CC(=C3)OCC4=CC=CC=C4)[N+](=O)[O-])OC2=O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)/C(=C\C3=C(C=CC(=C3)OCC4=CC=CC=C4)[N+](=O)[O-])/OC2=O)OC

InChI

InChI=1S/C24H19NO7/c1-29-22-12-18-19(13-23(22)30-2)24(26)32-21(18)11-16-10-17(8-9-20(16)25(27)28)31-14-15-6-4-3-5-7-15/h3-13H,14H2,1-2H3/b21-11+