[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-(4-ethylanilino)-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-(4-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-(4-ethylanilino)-2-keto-ethyl] ester Formula: C16H16N2O4 MolecularWeight: 300.30924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC=[N+]2[O-]

InChI

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