[2-[2-(4-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-[2-(4-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-[2-(4-chlorophenyl)ethylamino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-[2-(4-chlorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C16H15ClN2O4 MolecularWeight: 334.7543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)Cl)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)Cl)[O-]

InChI

InChI=1S/C16H15ClN2O4/c17-13-6-4-12(5-7-13)8-9-18-15(20)11-23-16(21)14-3-1-2-10-19(14)22/h1-7,10H,8-9,11H2,(H,18,20)