(2Z)-2-[(5-bromanyl-1-benzofuran-2-yl)methylidene]-7-[[butyl(methyl)azaniumyl]methyl]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(5-bromanyl-1-benzofuran-2-yl)methylidene]-7-[[butyl(methyl)azaniumyl]methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(5-bromobenzofuran-2-yl)methylene]-7-[[butyl(methyl)ammonio]methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(5-bromo-2-benzofuranyl)methylidene]-7-[[butyl(methyl)ammonio]methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-7-[[butyl(methyl)azaniumyl]methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-[(5-bromobenzofuran-2-yl)methylene]-7-[[butyl(methyl)ammonio]methyl]-3-keto-coumaran-6-olate Formula: C23H22BrNO4 MolecularWeight: 456.32908

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC1=C(C=CC2=C1OC(=CC3=CC4=C(O3)C=CC(=C4)Br)C2=O)[O-]

Isomeric SMILES

CCCC[NH+](C)CC1=C(C=CC2=C1O/C(=C\C3=CC4=C(O3)C=CC(=C4)Br)/C2=O)[O-]

InChI

InChI=1S/C23H22BrNO4/c1-3-4-9-25(2)13-18-19(26)7-6-17-22(27)21(29-23(17)18)12-16-11-14-10-15(24)5-8-20(14)28-16/h5-8,10-12,26H,3-4,9,13H2,1-2H3/b21-12-