(2Z)-2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-7-[(diethylazaniumyl)methyl]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-7-[(diethylazaniumyl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(5-bromo-2-methoxy-phenyl)methylene]-7-[(diethylammonio)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-7-[(diethylammonio)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-7-[(diethylazaniumyl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(5-bromo-2-methoxy-benzylidene)-7-[(diethylammonio)methyl]-3-keto-coumaran-6-olate Formula: C21H22BrNO4 MolecularWeight: 432.30768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrNO4/c1-4-23(5-2)12-16-17(24)8-7-15-20(25)19(27-21(15)16)11-13-10-14(22)6-9-18(13)26-3/h6-11,24H,4-5,12H2,1-3H3/b19-11-