[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-(N-isopropylanilino)-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-oxo-2-(N-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-propan-2-ylanilino)ethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-(N-isopropylanilino)-2-keto-ethyl] ester Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4/c1-13(2)19(14-8-4-3-5-9-14)16(20)12-23-17(21)15-10-6-7-11-18(15)22/h3-11,13H,12H2,1-2H3