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

Systemtic Name: ethyl 4-[2-(3-oxidanylpyridin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C16H17N2O4+ MolecularWeight: 301.31718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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