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

Systemtic Name: (2Z)-7-[(diethylazaniumyl)methyl]-2-[(3-methylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(diethylammonio)methyl]-2-(m-tolylmethylene)-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(diethylammonio)methyl]-2-[(3-methylphenyl)methylidene]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-[(diethylazaniumyl)methyl]-2-[(3-methylphenyl)methylidene]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(diethylammonio)methyl]-3-keto-2-(3-methylbenzylidene)coumaran-6-olate Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO3/c1-4-22(5-2)13-17-18(23)10-9-16-20(24)19(25-21(16)17)12-15-8-6-7-14(3)11-15/h6-12,23H,4-5,13H2,1-3H3/b19-12-