[(1S,3R)-1-(4-methoxyphenyl)-3-(4-nitrophenyl)-3-oxidanyl-propyl] ethanoate

Systemtic Name: [(1S,3R)-1-(4-methoxyphenyl)-3-(4-nitrophenyl)-3-oxidanyl-propyl] ethanoate Openeye Name: [(1S,3R)-3-hydroxy-1-(4-methoxyphenyl)-3-(4-nitrophenyl)propyl] acetate CAS Name: acetic acid [(1S,3R)-3-hydroxy-1-(4-methoxyphenyl)-3-(4-nitrophenyl)propyl] ester IUPAC Name: [(1S,3R)-3-hydroxy-1-(4-methoxyphenyl)-3-(4-nitrophenyl)propyl] acetate Traditional Name: acetic acid [(1S,3R)-3-hydroxy-1-(4-methoxyphenyl)-3-(4-nitrophenyl)propyl] ester Formula: C18H19NO6 MolecularWeight: 345.34656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO6/c1-12(20)25-18(14-5-9-16(24-2)10-6-14)11-17(21)13-3-7-15(8-4-13)19(22)23/h3-10,17-18,21H,11H2,1-2H3/t17-,18+/m1/s1