2-[(2-bromanyl-5-fluoranyl-phenyl)carbonylamino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 2-[(2-bromanyl-5-fluoranyl-phenyl)carbonylamino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-[(2-bromo-5-fluoro-benzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[[(2-bromo-5-fluorophenyl)-oxomethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-[(2-bromo-5-fluorobenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-[(2-bromo-5-fluoro-benzoyl)amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C13H11BrFN3O3 MolecularWeight: 356.147143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)C(=O)NC(CC2=CN=CN2)C(=O)O)Br

Isomeric SMILES

C1=CC(=C(C=C1F)C(=O)NC(CC2=CN=CN2)C(=O)O)Br

InChI

InChI=1S/C13H11BrFN3O3/c14-10-2-1-7(15)3-9(10)12(19)18-11(13(20)21)4-8-5-16-6-17-8/h1-3,5-6,11H,4H2,(H,16,17)(H,18,19)(H,20,21)