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

Systemtic Name: (2Z)-7-[(diethylazaniumyl)methyl]-3-oxidanylidene-2-(phenylmethylidene)-1-benzofuran-6-olate Openeye Name: (2Z)-2-benzylidene-7-[(diethylammonio)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(diethylammonio)methyl]-3-oxo-2-(phenylmethylene)-6-benzofuranolate IUPAC Name: (2Z)-2-benzylidene-7-[(diethylazaniumyl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-benzal-7-[(diethylammonio)methyl]-3-keto-coumaran-6-olate Formula: C20H21NO3 MolecularWeight: 323.38564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO3/c1-3-21(4-2)13-16-17(22)11-10-15-19(23)18(24-20(15)16)12-14-8-6-5-7-9-14/h5-12,22H,3-4,13H2,1-2H3/b18-12-