(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: (2-ethoxycarbonylbenzofuran-3-yl)methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid (2-ethoxycarbonyl-3-benzofuranyl)methyl ester IUPAC Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid (2-carbethoxybenzofuran-3-yl)methyl ester Formula: C18H15NO6 MolecularWeight: 341.3148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C18H15NO6/c1-2-23-18(21)16-14(13-5-3-4-6-15(13)25-16)11-24-17(20)12-7-9-19(22)10-8-12/h3-10H,2,11H2,1H3