propan-2-yl (2R,3S)-3-acetamido-3-(4-nitrophenyl)-2-oxidanyl-propanoate

Systemtic Name: propan-2-yl (2R,3S)-3-acetamido-3-(4-nitrophenyl)-2-oxidanyl-propanoate Openeye Name: isopropyl (2R,3S)-3-acetamido-2-hydroxy-3-(4-nitrophenyl)propanoate CAS Name: (2R,3S)-3-acetamido-2-hydroxy-3-(4-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (2R,3S)-3-acetamido-2-hydroxy-3-(4-nitrophenyl)propanoate Traditional Name: (2R,3S)-3-acetamido-2-hydroxy-3-(4-nitrophenyl)propionic acid isopropyl ester Formula: C14H18N2O6 MolecularWeight: 310.30252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O6/c1-8(2)22-14(19)13(18)12(15-9(3)17)10-4-6-11(7-5-10)16(20)21/h4-8,12-13,18H,1-3H3,(H,15,17)/t12-,13+/m0/s1