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

Systemtic Name: (2Z)-7-[(dimethylazaniumyl)methyl]-2-[(4-methoxycarbonylphenyl)methylidene]-4-methyl-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(dimethylammonio)methyl]-2-[(4-methoxycarbonylphenyl)methylene]-4-methyl-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(dimethylammonio)methyl]-2-[(4-methoxycarbonylphenyl)methylidene]-4-methyl-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-[(dimethylazaniumyl)methyl]-2-[(4-methoxycarbonylphenyl)methylidene]-4-methyl-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(4-carbomethoxybenzylidene)-7-[(dimethylammonio)methyl]-3-keto-4-methyl-coumaran-6-olate Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=CC=C(C=C3)C(=O)OC)O2)C[NH+](C)C)[O-]

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC=C(C=C3)C(=O)OC)/O2)C[NH+](C)C)[O-]

InChI

InChI=1S/C21H21NO5/c1-12-9-16(23)15(11-22(2)3)20-18(12)19(24)17(27-20)10-13-5-7-14(8-6-13)21(25)26-4/h5-10,23H,11H2,1-4H3/b17-10-