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

Systemtic Name: 6-bromanyl-2-[(diethylazaniumyl)methyl]-3-ethoxycarbonyl-1-benzofuran-5-olate Openeye Name: 6-bromo-2-[(diethylammonio)methyl]-3-ethoxycarbonyl-benzofuran-5-olate CAS Name: 6-bromo-2-[(diethylammonio)methyl]-3-ethoxycarbonyl-5-benzofuranolate IUPAC Name: 6-bromo-2-[(diethylazaniumyl)methyl]-3-ethoxycarbonyl-1-benzofuran-5-olate Traditional Name: 6-bromo-3-carbethoxy-2-[(diethylammonio)methyl]benzofuran-5-olate Formula: C16H20BrNO4 MolecularWeight: 370.2383

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C2=CC(=C(C=C2O1)Br)[O-])C(=O)OCC

Isomeric SMILES

CC[NH+](CC)CC1=C(C2=CC(=C(C=C2O1)Br)[O-])C(=O)OCC

InChI

InChI=1S/C16H20BrNO4/c1-4-18(5-2)9-14-15(16(20)21-6-3)10-7-12(19)11(17)8-13(10)22-14/h7-8,19H,4-6,9H2,1-3H3