[(2S,3S)-2-acetamido-3-(4-nitrophenyl)-3-oxidanyl-propyl] 4-nitrobenzoate

Systemtic Name: [(2S,3S)-2-acetamido-3-(4-nitrophenyl)-3-oxidanyl-propyl] 4-nitrobenzoate Openeye Name: [(2S,3S)-2-acetamido-3-hydroxy-3-(4-nitrophenyl)propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2S,3S)-2-acetamido-3-hydroxy-3-(4-nitrophenyl)propyl] ester IUPAC Name: [(2S,3S)-2-acetamido-3-hydroxy-3-(4-nitrophenyl)propyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2S,3S)-2-acetamido-3-hydroxy-3-(4-nitrophenyl)propyl] ester Formula: C18H17N3O8 MolecularWeight: 403.34288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O8/c1-11(22)19-16(17(23)12-2-6-14(7-3-12)20(25)26)10-29-18(24)13-4-8-15(9-5-13)21(27)28/h2-9,16-17,23H,10H2,1H3,(H,19,22)/t16-,17-/m0/s1