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

Systemtic Name: ethyl 3-[(3-aminocarbonylpyridin-1-ium-1-yl)methyl]-5-bromanyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(3-carbamoylpyridin-1-ium-1-yl)methyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[(3-carbamoyl-1-pyridin-1-iumyl)methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(3-carbamoylpyridin-1-ium-1-yl)methyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[(3-carbamoylpyridin-1-ium-1-yl)methyl]coumarilic acid ethyl ester Formula: C18H16BrN2O4+ MolecularWeight: 404.23464

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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)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN2O4/c1-2-24-18(23)16-14(13-8-12(19)5-6-15(13)25-16)10-21-7-3-4-11(9-21)17(20)22/h3-9H,2,10H2,1H3,(H-,20,22)/p+1