2-[[4-(4-dibenzofuran-1-ylphenyl)-2-nitro-phenyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-(4-dibenzofuran-1-ylphenyl)-2-nitro-phenyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[4-(4-dibenzofuran-1-ylphenyl)-2-nitro-anilino]-3-phenyl-propanoic acid CAS Name: 2-[4-[4-(1-dibenzofuranyl)phenyl]-2-nitroanilino]-3-phenylpropanoic acid IUPAC Name: 2-[4-(4-dibenzofuran-1-ylphenyl)-2-nitroanilino]-3-phenylpropanoic acid Traditional Name: 2-[4-(4-dibenzofuran-1-ylphenyl)-2-nitro-anilino]-3-phenyl-propionic acid Formula: C33H24N2O5 MolecularWeight: 528.55406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC2=C(C=C(C=C2)C3=CC=C(C=C3)C4=C5C6=CC=CC=C6OC5=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC2=C(C=C(C=C2)C3=CC=C(C=C3)C4=C5C6=CC=CC=C6OC5=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C33H24N2O5/c36-33(37)28(19-21-7-2-1-3-8-21)34-27-18-17-24(20-29(27)35(38)39)22-13-15-23(16-14-22)25-10-6-12-31-32(25)26-9-4-5-11-30(26)40-31/h1-18,20,28,34H,19H2,(H,36,37)