2-[[4-(3-fluoranyl-4-phenyl-phenyl)-2-nitro-phenyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-(3-fluoranyl-4-phenyl-phenyl)-2-nitro-phenyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[4-(3-fluoro-4-phenyl-phenyl)-2-nitro-anilino]-3-phenyl-propanoic acid CAS Name: 2-[4-(3-fluoro-4-phenylphenyl)-2-nitroanilino]-3-phenylpropanoic acid IUPAC Name: 2-[4-(3-fluoro-4-phenylphenyl)-2-nitroanilino]-3-phenylpropanoic acid Traditional Name: 2-[4-(3-fluoro-4-phenyl-phenyl)-2-nitro-anilino]-3-phenyl-propionic acid Formula: C27H21FN2O4 MolecularWeight: 456.465043

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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=CC=CC=C4)F)[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=CC=CC=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C27H21FN2O4/c28-23-16-20(11-13-22(23)19-9-5-2-6-10-19)21-12-14-24(26(17-21)30(33)34)29-25(27(31)32)15-18-7-3-1-4-8-18/h1-14,16-17,25,29H,15H2,(H,31,32)