4,6,7-trimethoxy-3-oxidanylidene-1H-2-benzofuran-1-carbonitrile

Systemtic Name: 4,6,7-trimethoxy-3-oxidanylidene-1H-2-benzofuran-1-carbonitrile Openeye Name: 4,6,7-trimethoxy-3-oxo-1H-isobenzofuran-1-carbonitrile CAS Name: 4,6,7-trimethoxy-3-oxo-1H-isobenzofuran-1-carbonitrile IUPAC Name: 4,6,7-trimethoxy-3-oxo-1H-2-benzofuran-1-carbonitrile Traditional Name: 3-keto-4,6,7-trimethoxy-phthalan-1-carbonitrile Formula: C12H11NO5 MolecularWeight: 249.21944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C2=C1C(=O)OC2C#N)OC)OC

Isomeric SMILES

COC1=CC(=C(C2=C1C(=O)OC2C#N)OC)OC

InChI

InChI=1S/C12H11NO5/c1-15-6-4-7(16-2)11(17-3)9-8(5-13)18-12(14)10(6)9/h4,8H,1-3H3