ethyl (2S,3R)-3-(1-oxidanidylpyridin-1-ium-2-yl)-2,3-bis(oxidanyl)propanoate

Systemtic Name: ethyl (2S,3R)-3-(1-oxidanidylpyridin-1-ium-2-yl)-2,3-bis(oxidanyl)propanoate Openeye Name: ethyl (2S,3R)-2,3-dihydroxy-3-(1-oxidopyridin-1-ium-2-yl)propanoate CAS Name: (2S,3R)-2,3-dihydroxy-3-(1-oxido-2-pyridin-1-iumyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S,3R)-2,3-dihydroxy-3-(1-oxidopyridin-1-ium-2-yl)propanoate Traditional Name: (2S,3R)-2,3-dihydroxy-3-(1-oxidopyridin-1-ium-2-yl)propionic acid ethyl ester Formula: C10H13NO5 MolecularWeight: 227.21392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=CC=[N+]1[O-])O)O

Isomeric SMILES

CCOC(=O)[C@H]([C@@H](C1=CC=CC=[N+]1[O-])O)O

InChI

InChI=1S/C10H13NO5/c1-2-16-10(14)9(13)8(12)7-5-3-4-6-11(7)15/h3-6,8-9,12-13H,2H2,1H3/t8-,9+/m1/s1