[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O4/c1-11-7-12(2)9-14(8-11)17-15(19)10-22-16(20)13-3-5-18(21)6-4-13/h3-9H,10H2,1-2H3,(H,17,19)