(4-nitrophenyl) (2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (4-nitrophenyl) (2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (4-nitrophenyl) (2S)-2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propionic acid (4-nitrophenyl) ester Formula: C23H20N2O7 MolecularWeight: 436.4141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)O)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O7/c26-19-10-6-16(7-11-19)14-21(24-23(28)31-15-17-4-2-1-3-5-17)22(27)32-20-12-8-18(9-13-20)25(29)30/h1-13,21,26H,14-15H2,(H,24,28)/t21-/m0/s1