methyl (2S,3R)-3-(4-nitrophenyl)-2-oxidanyl-3-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2S,3R)-3-(4-nitrophenyl)-2-oxidanyl-3-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S,3R)-3-(benzyloxycarbonylamino)-2-hydroxy-3-(4-nitrophenyl)propanoate CAS Name: (2S,3R)-2-hydroxy-3-(4-nitrophenyl)-3-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S,3R)-2-hydroxy-3-(4-nitrophenyl)-3-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S,3R)-3-(benzyloxycarbonylamino)-2-hydroxy-3-(4-nitrophenyl)propionic acid methyl ester Formula: C18H18N2O7 MolecularWeight: 374.34472

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

COC(=O)[C@H]([C@@H](C1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C18H18N2O7/c1-26-17(22)16(21)15(13-7-9-14(10-8-13)20(24)25)19-18(23)27-11-12-5-3-2-4-6-12/h2-10,15-16,21H,11H2,1H3,(H,19,23)/t15-,16+/m1/s1