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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C16H16N2O4/c1-12-4-2-3-5-14(12)10-17-15(19)11-22-16(20)13-6-8-18(21)9-7-13/h2-9H,10-11H2,1H3,(H,17,19)