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

Systemtic Name: 6-bromanyl-4-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-2-methyl-1-benzofuran-5-olate Openeye Name: 6-bromo-4-[(dimethylammonio)methyl]-3-ethoxycarbonyl-2-methyl-benzofuran-5-olate CAS Name: 6-bromo-4-[(dimethylammonio)methyl]-3-ethoxycarbonyl-2-methyl-5-benzofuranolate IUPAC Name: 6-bromo-4-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-2-methyl-1-benzofuran-5-olate Traditional Name: 6-bromo-3-carbethoxy-4-[(dimethylammonio)methyl]-2-methyl-benzofuran-5-olate Formula: C15H18BrNO4 MolecularWeight: 356.21172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC(=C(C(=C21)C[NH+](C)C)[O-])Br)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC(=C(C(=C21)C[NH+](C)C)[O-])Br)C

InChI

InChI=1S/C15H18BrNO4/c1-5-20-15(19)12-8(2)21-11-6-10(16)14(18)9(13(11)12)7-17(3)4/h6,18H,5,7H2,1-4H3