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

Systemtic Name: (2Z)-7-[(diethylazaniumyl)methyl]-2-[(4-methoxycarbonylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(diethylammonio)methyl]-2-[(4-methoxycarbonylphenyl)methylene]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(diethylammonio)methyl]-2-[(4-methoxycarbonylphenyl)methylidene]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-[(diethylazaniumyl)methyl]-2-[(4-methoxycarbonylphenyl)methylidene]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(4-carbomethoxybenzylidene)-7-[(diethylammonio)methyl]-3-keto-coumaran-6-olate Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO5/c1-4-23(5-2)13-17-18(24)11-10-16-20(25)19(28-21(16)17)12-14-6-8-15(9-7-14)22(26)27-3/h6-12,24H,4-5,13H2,1-3H3/b19-12-