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

Systemtic Name: (2Z)-7-[(diethylazaniumyl)methyl]-2-[(3-methoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(diethylammonio)methyl]-2-[(3-methoxyphenyl)methylene]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(diethylammonio)methyl]-2-[(3-methoxyphenyl)methylidene]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-[(diethylazaniumyl)methyl]-2-[(3-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(diethylammonio)methyl]-3-keto-2-m-anisylidene-coumaran-6-olate Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4/c1-4-22(5-2)13-17-18(23)10-9-16-20(24)19(26-21(16)17)12-14-7-6-8-15(11-14)25-3/h6-12,23H,4-5,13H2,1-3H3/b19-12-