methyl (2S,3S)-2-[(R)-acetamido-(4-nitrophenyl)methyl]-3-oxidanyl-butanoate

Systemtic Name: methyl (2S,3S)-2-[(R)-acetamido-(4-nitrophenyl)methyl]-3-oxidanyl-butanoate Openeye Name: methyl (2S,3S)-2-[(R)-acetamido-(4-nitrophenyl)methyl]-3-hydroxy-butanoate CAS Name: (2S,3S)-2-[(R)-acetamido-(4-nitrophenyl)methyl]-3-hydroxybutanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-[(R)-acetamido-(4-nitrophenyl)methyl]-3-hydroxybutanoate Traditional Name: (2S,3S)-2-[(R)-acetamido-(4-nitrophenyl)methyl]-3-hydroxy-butyric acid methyl ester Formula: C14H18N2O6 MolecularWeight: 310.30252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O6/c1-8(17)12(14(19)22-3)13(15-9(2)18)10-4-6-11(7-5-10)16(20)21/h4-8,12-13,17H,1-3H3,(H,15,18)/t8-,12+,13-/m0/s1