dimethyl 5-[2-(3-oxidanylpyridin-1-ium-1-yl)ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(3-oxidanylpyridin-1-ium-1-yl)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(3-hydroxy-1-pyridin-1-iumyl)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H17N2O6+ MolecularWeight: 345.32668

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C[N+]2=CC=CC(=C2)O)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C[N+]2=CC=CC(=C2)O)C(=O)OC

InChI

InChI=1S/C17H16N2O6/c1-24-16(22)11-6-12(17(23)25-2)8-13(7-11)18-15(21)10-19-5-3-4-14(20)9-19/h3-9H,10H2,1-2H3,(H-,18,20,21)/p+1