[1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(p-tolyl)ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylphenyl)-1-oxopropan-2-yl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C16H15NO4/c1-11-3-5-13(6-4-11)15(18)12(2)21-16(19)14-7-9-17(20)10-8-14/h3-10,12H,1-2H3