[(2R,3R)-3-acetyloxy-2-nitro-3-phenyl-propyl] ethanoate

Systemtic Name: [(2R,3R)-3-acetyloxy-2-nitro-3-phenyl-propyl] ethanoate Openeye Name: [(2R,3R)-3-acetoxy-2-nitro-3-phenyl-propyl] acetate CAS Name: acetic acid [(2R,3R)-3-acetyloxy-2-nitro-3-phenylpropyl] ester IUPAC Name: [(2R,3R)-3-acetyloxy-2-nitro-3-phenylpropyl] acetate Traditional Name: acetic acid [(2R,3R)-3-acetoxy-2-nitro-3-phenyl-propyl] ester Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO6/c1-9(15)19-8-12(14(17)18)13(20-10(2)16)11-6-4-3-5-7-11/h3-7,12-13H,8H2,1-2H3/t12-,13-/m1/s1