2-[2-nitro-4-[4-[2-(phenylcarbonyl)-1-benzofuran-3-yl]phenyl]phenoxy]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-nitro-4-[4-[2-(phenylcarbonyl)-1-benzofuran-3-yl]phenyl]phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[4-[4-(2-benzoylbenzofuran-3-yl)phenyl]-2-nitro-phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[4-[4-(2-benzoyl-3-benzofuranyl)phenyl]-2-nitrophenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[4-[4-(2-benzoyl-1-benzofuran-3-yl)phenyl]-2-nitrophenoxy]-3-phenylpropanoic acid Traditional Name: 2-[4-[4-(2-benzoylbenzofuran-3-yl)phenyl]-2-nitro-phenoxy]-3-phenyl-propionic acid Formula: C36H25NO7 MolecularWeight: 583.5862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)OC2=C(C=C(C=C2)C3=CC=C(C=C3)C4=C(OC5=CC=CC=C54)C(=O)C6=CC=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)OC2=C(C=C(C=C2)C3=CC=C(C=C3)C4=C(OC5=CC=CC=C54)C(=O)C6=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C36H25NO7/c38-34(26-11-5-2-6-12-26)35-33(28-13-7-8-14-30(28)44-35)25-17-15-24(16-18-25)27-19-20-31(29(22-27)37(41)42)43-32(36(39)40)21-23-9-3-1-4-10-23/h1-20,22,32H,21H2,(H,39,40)