[(2S)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [(2S)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [(1S)-2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [(1S)-2-(2,5-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)OC(=O)C2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C)OC(=O)C2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C17H18N2O4/c1-11-7-8-12(2)14(10-11)18-16(20)13(3)23-17(21)15-6-4-5-9-19(15)22/h4-10,13H,1-3H3,(H,18,20)/t13-/m0/s1