methyl (2S,3S)-2-ethanoyl-4-nitro-3-phenyl-butanoate

Systemtic Name: methyl (2S,3S)-2-ethanoyl-4-nitro-3-phenyl-butanoate Openeye Name: methyl (2S,3S)-2-acetyl-4-nitro-3-phenyl-butanoate CAS Name: (2S,3S)-2-acetyl-4-nitro-3-phenylbutanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-acetyl-4-nitro-3-phenylbutanoate Traditional Name: (2S,3S)-2-acetyl-4-nitro-3-phenyl-butyric acid methyl ester Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5/c1-9(15)12(13(16)19-2)11(8-14(17)18)10-6-4-3-5-7-10/h3-7,11-12H,8H2,1-2H3/t11-,12-/m1/s1