[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-(4-isopropylphenyl)-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-oxo-2-(4-propan-2-ylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid (2-keto-2-p-cumenyl-ethyl) ester Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO4/c1-12(2)13-6-8-14(9-7-13)16(19)11-22-17(20)15-5-3-4-10-18(15)21/h3-10,12H,11H2,1-2H3