3-[3-(2-fluoranyl-4-phenyl-phenyl)propanoylamino]-4-(1-nitroethyl)benzoic acid

Systemtic Name: 3-[3-(2-fluoranyl-4-phenyl-phenyl)propanoylamino]-4-(1-nitroethyl)benzoic acid Openeye Name: 3-[3-(2-fluoro-4-phenyl-phenyl)propanoylamino]-4-(1-nitroethyl)benzoic acid CAS Name: 3-[[3-(2-fluoro-4-phenylphenyl)-1-oxopropyl]amino]-4-(1-nitroethyl)benzoic acid IUPAC Name: 3-[3-(2-fluoro-4-phenylphenyl)propanoylamino]-4-(1-nitroethyl)benzoic acid Traditional Name: 3-[3-(2-fluoro-4-phenyl-phenyl)propanoylamino]-4-(1-nitroethyl)benzoic acid Formula: C24H21FN2O5 MolecularWeight: 436.432343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)C(=O)O)NC(=O)CCC2=C(C=C(C=C2)C3=CC=CC=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC(C1=C(C=C(C=C1)C(=O)O)NC(=O)CCC2=C(C=C(C=C2)C3=CC=CC=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C24H21FN2O5/c1-15(27(31)32)20-11-9-19(24(29)30)14-22(20)26-23(28)12-10-17-7-8-18(13-21(17)25)16-5-3-2-4-6-16/h2-9,11,13-15H,10,12H2,1H3,(H,26,28)(H,29,30)