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

Systemtic Name: (2Z)-2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-7-[(dimethylazaniumyl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(5-bromo-2-methoxy-phenyl)methylene]-7-[(dimethylammonio)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-7-[(dimethylammonio)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-7-[(dimethylazaniumyl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(5-bromo-2-methoxy-benzylidene)-7-[(dimethylammonio)methyl]-3-keto-coumaran-6-olate Formula: C19H18BrNO4 MolecularWeight: 404.25452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrNO4/c1-21(2)10-14-15(22)6-5-13-18(23)17(25-19(13)14)9-11-8-12(20)4-7-16(11)24-3/h4-9,22H,10H2,1-3H3/b17-9-