3-[2-(4-nitrophenyl)-4-oxidanyl-phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[2-(4-nitrophenyl)-4-oxidanyl-phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[4-hydroxy-2-(4-nitrophenyl)phenyl]propanoic acid CAS Name: 3-[4-hydroxy-2-(4-nitrophenyl)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[4-hydroxy-2-(4-nitrophenyl)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[4-hydroxy-2-(4-nitrophenyl)phenyl]propionic acid Formula: C23H20N2O7 MolecularWeight: 436.4141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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