(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-7-[(dimethylazaniumyl)methyl]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-7-[(dimethylazaniumyl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylene]-7-[(dimethylammonio)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-7-[(dimethylammonio)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-7-[(dimethylazaniumyl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(dimethylammonio)methyl]-3-keto-2-veratrylidene-coumaran-6-olate Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC2=C1OC(=CC3=CC(=C(C=C3)OC)OC)C2=O)[O-]

Isomeric SMILES

C[NH+](C)CC1=C(C=CC2=C1O/C(=C\C3=CC(=C(C=C3)OC)OC)/C2=O)[O-]

InChI

InChI=1S/C20H21NO5/c1-21(2)11-14-15(22)7-6-13-19(23)18(26-20(13)14)10-12-5-8-16(24-3)17(9-12)25-4/h5-10,22H,11H2,1-4H3/b18-10-