6-bromanyl-7-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-5-methoxy-2-methyl-1-benzofuran-4-olate

Systemtic Name: 6-bromanyl-7-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-5-methoxy-2-methyl-1-benzofuran-4-olate Openeye Name: 6-bromo-7-[(dimethylammonio)methyl]-3-ethoxycarbonyl-5-methoxy-2-methyl-benzofuran-4-olate CAS Name: 6-bromo-7-[(dimethylammonio)methyl]-3-ethoxycarbonyl-5-methoxy-2-methyl-4-benzofuranolate IUPAC Name: 6-bromo-7-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-5-methoxy-2-methyl-1-benzofuran-4-olate Traditional Name: 6-bromo-3-carbethoxy-7-[(dimethylammonio)methyl]-5-methoxy-2-methyl-benzofuran-4-olate Formula: C16H20BrNO5 MolecularWeight: 386.2377

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C(=C(C(=C12)[O-])OC)Br)C[NH+](C)C)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C(=C(C(=C12)[O-])OC)Br)C[NH+](C)C)C

InChI

InChI=1S/C16H20BrNO5/c1-6-22-16(20)10-8(2)23-14-9(7-18(3)4)12(17)15(21-5)13(19)11(10)14/h19H,6-7H2,1-5H3