methyl 4-[2-(3-oxidanylpyridin-1-ium-1-yl)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(3-oxidanylpyridin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(3-hydroxy-1-pyridin-1-iumyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C15H15N2O4+ MolecularWeight: 287.2906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O4/c1-21-15(20)11-4-6-12(7-5-11)16-14(19)10-17-8-2-3-13(18)9-17/h2-9H,10H2,1H3,(H-,16,18,19,20)/p+1