(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-5-[(dimethylazaniumyl)methyl]-7-methyl-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-5-[(dimethylazaniumyl)methyl]-7-methyl-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylene]-5-[(dimethylammonio)methyl]-7-methyl-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-5-[(dimethylammonio)methyl]-7-methyl-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-5-[(dimethylazaniumyl)methyl]-7-methyl-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-5-[(dimethylammonio)methyl]-3-keto-7-methyl-2-veratrylidene-coumaran-6-olate Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1[O-])C[NH+](C)C)C(=O)C(=CC3=CC(=C(C=C3)OC)OC)O2

Isomeric SMILES

CC1=C2C(=CC(=C1[O-])C[NH+](C)C)C(=O)/C(=C/C3=CC(=C(C=C3)OC)OC)/O2

InChI

InChI=1S/C21H23NO5/c1-12-19(23)14(11-22(2)3)10-15-20(24)18(27-21(12)15)9-13-6-7-16(25-4)17(8-13)26-5/h6-10,23H,11H2,1-5H3/b18-9-