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

Systemtic Name: ethyl 2-[2-(3-oxidanylpyridin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 2-[[2-(3-hydroxy-1-pyridin-1-iumyl)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 2-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]benzoic acid ethyl ester Formula: C16H17N2O4+ MolecularWeight: 301.31718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C[N+]2=CC=CC(=C2)O

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C[N+]2=CC=CC(=C2)O

InChI

InChI=1S/C16H16N2O4/c1-2-22-16(21)13-7-3-4-8-14(13)17-15(20)11-18-9-5-6-12(19)10-18/h3-10H,2,11H2,1H3,(H-,17,19,20,21)/p+1