[(1R,2S)-2-[methyl(phenylmethoxycarbonyl)amino]-1-phenyl-propyl] 4-nitrobenzoate

Systemtic Name: [(1R,2S)-2-[methyl(phenylmethoxycarbonyl)amino]-1-phenyl-propyl] 4-nitrobenzoate Openeye Name: [(1R,2S)-2-[benzyloxycarbonyl(methyl)amino]-1-phenyl-propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1R,2S)-2-[methyl(phenylmethoxycarbonyl)amino]-1-phenylpropyl] ester IUPAC Name: [(1R,2S)-2-[methyl(phenylmethoxycarbonyl)amino]-1-phenylpropyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R,2S)-2-[carbobenzoxy(methyl)amino]-1-phenyl-propyl] ester Formula: C25H24N2O6 MolecularWeight: 448.46786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N(C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@@H]([C@@H](C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N(C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H24N2O6/c1-18(26(2)25(29)32-17-19-9-5-3-6-10-19)23(20-11-7-4-8-12-20)33-24(28)21-13-15-22(16-14-21)27(30)31/h3-16,18,23H,17H2,1-2H3/t18-,23-/m0/s1