methyl (2S,3S)-2-acetamido-3-(2-nitrophenyl)butanoate

Systemtic Name: methyl (2S,3S)-2-acetamido-3-(2-nitrophenyl)butanoate Openeye Name: methyl (2S,3S)-2-acetamido-3-(2-nitrophenyl)butanoate CAS Name: (2S,3S)-2-acetamido-3-(2-nitrophenyl)butanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-acetamido-3-(2-nitrophenyl)butanoate Traditional Name: (2S,3S)-2-acetamido-3-(2-nitrophenyl)butyric acid methyl ester Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c1-8(12(13(17)20-3)14-9(2)16)10-6-4-5-7-11(10)15(18)19/h4-8,12H,1-3H3,(H,14,16)/t8-,12-/m0/s1