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

Systemtic Name: 6,7-dimethoxy-3-[2-(5-nitro-2-oxidanyl-phenyl)-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one Openeye Name: 3-[2-(2-hydroxy-5-nitro-phenyl)-2-oxo-ethyl]-6,7-dimethoxy-3H-isobenzofuran-1-one CAS Name: 3-[2-(2-hydroxy-5-nitrophenyl)-2-oxoethyl]-6,7-dimethoxy-3H-isobenzofuran-1-one IUPAC Name: 3-[2-(2-hydroxy-5-nitrophenyl)-2-oxoethyl]-6,7-dimethoxy-3H-2-benzofuran-1-one Traditional Name: 3-[2-(2-hydroxy-5-nitro-phenyl)-2-keto-ethyl]-6,7-dimethoxy-phthalide Formula: C18H15NO8 MolecularWeight: 373.3136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO8/c1-25-14-6-4-10-15(27-18(22)16(10)17(14)26-2)8-13(21)11-7-9(19(23)24)3-5-12(11)20/h3-7,15,20H,8H2,1-2H3