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

Systemtic Name: (2Z)-2-[(4-bromophenyl)methylidene]-7-[(diethylazaniumyl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(4-bromophenyl)methylene]-7-[(diethylammonio)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(4-bromophenyl)methylidene]-7-[(diethylammonio)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(4-bromophenyl)methylidene]-7-[(diethylazaniumyl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(4-bromobenzylidene)-7-[(diethylammonio)methyl]-3-keto-coumaran-6-olate Formula: C20H20BrNO3 MolecularWeight: 402.2817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrNO3/c1-3-22(4-2)12-16-17(23)10-9-15-19(24)18(25-20(15)16)11-13-5-7-14(21)8-6-13/h5-11,23H,3-4,12H2,1-2H3/b18-11-