(2Z)-2-[(6-bromanyl-4H-1,3-benzodioxin-8-yl)methylidene]-7-[(dimethylazaniumyl)methyl]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(6-bromanyl-4H-1,3-benzodioxin-8-yl)methylidene]-7-[(dimethylazaniumyl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-7-[(dimethylammonio)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-7-[(dimethylammonio)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-7-[(dimethylazaniumyl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-7-[(dimethylammonio)methyl]-3-keto-coumaran-6-olate Formula: C20H18BrNO5 MolecularWeight: 432.26462

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC2=C1OC(=CC3=CC(=CC4=C3OCOC4)Br)C2=O)[O-]

Isomeric SMILES

C[NH+](C)CC1=C(C=CC2=C1O/C(=C\C3=CC(=CC4=C3OCOC4)Br)/C2=O)[O-]

InChI

InChI=1S/C20H18BrNO5/c1-22(2)8-15-16(23)4-3-14-18(24)17(27-20(14)15)7-11-5-13(21)6-12-9-25-10-26-19(11)12/h3-7,23H,8-10H2,1-2H3/b17-7-