[(3R,5R)-5-ethanoyl-3-(4-methylphenyl)-2-phenyl-1,2-oxazolidin-5-yl] 4-nitrobenzoate

Systemtic Name: [(3R,5R)-5-ethanoyl-3-(4-methylphenyl)-2-phenyl-1,2-oxazolidin-5-yl] 4-nitrobenzoate Openeye Name: [(3R,5R)-5-acetyl-2-phenyl-3-(p-tolyl)isoxazolidin-5-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(3R,5R)-5-acetyl-3-(4-methylphenyl)-2-phenyl-5-isoxazolidinyl] ester IUPAC Name: [(3R,5R)-5-acetyl-3-(4-methylphenyl)-2-phenyl-1,2-oxazolidin-5-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(3R,5R)-5-acetyl-2-phenyl-3-(p-tolyl)isoxazolidin-5-yl] ester Formula: C25H22N2O6 MolecularWeight: 446.45198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(ON2C3=CC=CC=C3)(C(=O)C)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2C[C@@](ON2C3=CC=CC=C3)(C(=O)C)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H22N2O6/c1-17-8-10-19(11-9-17)23-16-25(18(2)28,33-26(23)21-6-4-3-5-7-21)32-24(29)20-12-14-22(15-13-20)27(30)31/h3-15,23H,16H2,1-2H3/t23-,25-/m1/s1