[(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [(1S)-2-keto-2-(methylcarbamoylamino)-1-phenyl-ethyl] ester Formula: C16H15N3O5 MolecularWeight: 329.3074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O5/c1-17-16(22)18-14(20)13(11-5-3-2-4-6-11)24-15(21)12-7-9-19(23)10-8-12/h2-10,13H,1H3,(H2,17,18,20,22)/t13-/m0/s1