[(2S)-2-(2-nitro-4-phenylmethoxy-phenyl)-3-oxidanyl-propyl] ethanoate

Systemtic Name: [(2S)-2-(2-nitro-4-phenylmethoxy-phenyl)-3-oxidanyl-propyl] ethanoate Openeye Name: [(2S)-2-(4-benzyloxy-2-nitro-phenyl)-3-hydroxy-propyl] acetate CAS Name: acetic acid [(2S)-3-hydroxy-2-(2-nitro-4-phenylmethoxyphenyl)propyl] ester IUPAC Name: [(2S)-3-hydroxy-2-(2-nitro-4-phenylmethoxyphenyl)propyl] acetate Traditional Name: acetic acid [(2S)-2-(4-benzoxy-2-nitro-phenyl)-3-hydroxy-propyl] ester Formula: C18H19NO6 MolecularWeight: 345.34656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CO)C1=C(C=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO6/c1-13(21)24-12-15(10-20)17-8-7-16(9-18(17)19(22)23)25-11-14-5-3-2-4-6-14/h2-9,15,20H,10-12H2,1H3/t15-/m0/s1