[2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[(3-chlorophenyl)methylamino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-[(3-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C15H13ClN2O4 MolecularWeight: 320.72772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CNC(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CNC(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C15H13ClN2O4/c16-13-3-1-2-11(8-13)9-17-14(19)10-22-15(20)12-4-6-18(21)7-5-12/h1-8H,9-10H2,(H,17,19)