[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C2=CC=[N+](C=C2)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C2=CC=[N+](C=C2)[O-])C)C

InChI

InChI=1S/C17H17NO4/c1-11-8-13(3)15(9-12(11)2)16(19)10-22-17(20)14-4-6-18(21)7-5-14/h4-9H,10H2,1-3H3