ethyl 5-bromanyl-3-[(3-oxidanylpyridin-1-ium-1-yl)methyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[(3-oxidanylpyridin-1-ium-1-yl)methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(3-hydroxypyridin-1-ium-1-yl)methyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[(3-hydroxy-1-pyridin-1-iumyl)methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(3-hydroxypyridin-1-ium-1-yl)methyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[(3-hydroxypyridin-1-ium-1-yl)methyl]coumarilic acid ethyl ester Formula: C17H15BrNO4+ MolecularWeight: 377.2093

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)C[N+]3=CC=CC(=C3)O

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)C[N+]3=CC=CC(=C3)O

InChI

InChI=1S/C17H14BrNO4/c1-2-22-17(21)16-14(10-19-7-3-4-12(20)9-19)13-8-11(18)5-6-15(13)23-16/h3-9H,2,10H2,1H3/p+1