4-[(2-bromanyl-4-nitro-phenyl)amino]-2-(4-fluorophenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-bromanyl-4-nitro-phenyl)amino]-2-(4-fluorophenyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-bromo-4-nitro-anilino)-2-(4-fluorophenyl)-4-oxo-butanoic acid CAS Name: 4-(2-bromo-4-nitroanilino)-2-(4-fluorophenyl)-4-oxobutanoic acid IUPAC Name: 4-(2-bromo-4-nitroanilino)-2-(4-fluorophenyl)-4-oxobutanoic acid Traditional Name: 4-(2-bromo-4-nitro-anilino)-2-(4-fluorophenyl)-4-keto-butyric acid Formula: C16H12BrFN2O5 MolecularWeight: 411.179283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)C(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1C(CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)C(=O)O)F

InChI

InChI=1S/C16H12BrFN2O5/c17-13-7-11(20(24)25)5-6-14(13)19-15(21)8-12(16(22)23)9-1-3-10(18)4-2-9/h1-7,12H,8H2,(H,19,21)(H,22,23)