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

Systemtic Name: 6-bromanyl-2-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-1-benzofuran-5-olate Openeye Name: 6-bromo-2-[(dimethylammonio)methyl]-3-ethoxycarbonyl-benzofuran-5-olate CAS Name: 6-bromo-2-[(dimethylammonio)methyl]-3-ethoxycarbonyl-5-benzofuranolate IUPAC Name: 6-bromo-2-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-1-benzofuran-5-olate Traditional Name: 6-bromo-3-carbethoxy-2-[(dimethylammonio)methyl]benzofuran-5-olate Formula: C14H16BrNO4 MolecularWeight: 342.18514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrNO4/c1-4-19-14(18)13-8-5-10(17)9(15)6-11(8)20-12(13)7-16(2)3/h5-6,17H,4,7H2,1-3H3