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

Systemtic Name: (2Z)-7-[(diethylazaniumyl)methyl]-2-[(4-ethoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(diethylammonio)methyl]-2-[(4-ethoxyphenyl)methylene]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(diethylammonio)methyl]-2-[(4-ethoxyphenyl)methylidene]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-[(diethylazaniumyl)methyl]-2-[(4-ethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(diethylammonio)methyl]-2-(4-ethoxybenzylidene)-3-keto-coumaran-6-olate Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO4/c1-4-23(5-2)14-18-19(24)12-11-17-21(25)20(27-22(17)18)13-15-7-9-16(10-8-15)26-6-3/h7-13,24H,4-6,14H2,1-3H3/b20-13-