6,7-dimethoxy-3-(5-nitro-2-oxidanyl-phenyl)-3H-2-benzofuran-1-one

Systemtic Name: 6,7-dimethoxy-3-(5-nitro-2-oxidanyl-phenyl)-3H-2-benzofuran-1-one Openeye Name: 3-(2-hydroxy-5-nitro-phenyl)-6,7-dimethoxy-3H-isobenzofuran-1-one CAS Name: 3-(2-hydroxy-5-nitrophenyl)-6,7-dimethoxy-3H-isobenzofuran-1-one IUPAC Name: 3-(2-hydroxy-5-nitrophenyl)-6,7-dimethoxy-3H-2-benzofuran-1-one Traditional Name: 3-(2-hydroxy-5-nitro-phenyl)-6,7-dimethoxy-phthalide Formula: C16H13NO7 MolecularWeight: 331.27692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(OC2=O)C3=C(C=CC(=C3)[N+](=O)[O-])O)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C(OC2=O)C3=C(C=CC(=C3)[N+](=O)[O-])O)OC

InChI

InChI=1S/C16H13NO7/c1-22-12-6-4-9-13(15(12)23-2)16(19)24-14(9)10-7-8(17(20)21)3-5-11(10)18/h3-7,14,18H,1-2H3