ethyl (2S,3S)-2-acetamido-3-(3-nitrophenyl)-3-oxidanyl-propanoate

Systemtic Name: ethyl (2S,3S)-2-acetamido-3-(3-nitrophenyl)-3-oxidanyl-propanoate Openeye Name: ethyl (2S,3S)-2-acetamido-3-hydroxy-3-(3-nitrophenyl)propanoate CAS Name: (2S,3S)-2-acetamido-3-hydroxy-3-(3-nitrophenyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S,3S)-2-acetamido-3-hydroxy-3-(3-nitrophenyl)propanoate Traditional Name: (2S,3S)-2-acetamido-3-hydroxy-3-(3-nitrophenyl)propionic acid ethyl ester Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6/c1-3-21-13(18)11(14-8(2)16)12(17)9-5-4-6-10(7-9)15(19)20/h4-7,11-12,17H,3H2,1-2H3,(H,14,16)/t11-,12-/m0/s1