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

Systemtic Name: (2Z)-7-[(dimethylazaniumyl)methyl]-2-[(4-methoxycarbonylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(dimethylammonio)methyl]-2-[(4-methoxycarbonylphenyl)methylene]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(dimethylammonio)methyl]-2-[(4-methoxycarbonylphenyl)methylidene]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-[(dimethylazaniumyl)methyl]-2-[(4-methoxycarbonylphenyl)methylidene]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(4-carbomethoxybenzylidene)-7-[(dimethylammonio)methyl]-3-keto-coumaran-6-olate Formula: C20H19NO5 MolecularWeight: 353.36856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO5/c1-21(2)11-15-16(22)9-8-14-18(23)17(26-19(14)15)10-12-4-6-13(7-5-12)20(24)25-3/h4-10,22H,11H2,1-3H3/b17-10-