[(2R)-1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [(2R)-1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [(1R)-2-[(5-chloro-2-pyridyl)amino]-1-methyl-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(5-chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [(1R)-2-[(5-chloro-2-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C14H12ClN3O4 MolecularWeight: 321.71578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C2=CC=CC=[N+]2[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C14H12ClN3O4/c1-9(13(19)17-12-6-5-10(15)8-16-12)22-14(20)11-4-2-3-7-18(11)21/h2-9H,1H3,(H,16,17,19)/t9-/m1/s1