2-[3-[1-azanyl-1-(4-bromanyl-2-fluoranyl-phenyl)-2-oxidanylidene-but-3-enyl]phenyl]propanoic acid

Systemtic Name: 2-[3-[1-azanyl-1-(4-bromanyl-2-fluoranyl-phenyl)-2-oxidanylidene-but-3-enyl]phenyl]propanoic acid Openeye Name: 2-[3-[1-amino-1-(4-bromo-2-fluoro-phenyl)-2-oxo-but-3-enyl]phenyl]propanoic acid CAS Name: 2-[3-[1-amino-1-(4-bromo-2-fluorophenyl)-2-oxobut-3-enyl]phenyl]propanoic acid IUPAC Name: 2-[3-[1-amino-1-(4-bromo-2-fluorophenyl)-2-oxobut-3-enyl]phenyl]propanoic acid Traditional Name: 2-[3-[1-amino-1-(4-bromo-2-fluoro-phenyl)-2-keto-but-3-enyl]phenyl]propionic acid Formula: C19H17BrFNO3 MolecularWeight: 406.245583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)C(C2=C(C=C(C=C2)Br)F)(C(=O)C=C)N)C(=O)O

Isomeric SMILES

CC(C1=CC(=CC=C1)C(C2=C(C=C(C=C2)Br)F)(C(=O)C=C)N)C(=O)O

InChI

InChI=1S/C19H17BrFNO3/c1-3-17(23)19(22,15-8-7-14(20)10-16(15)21)13-6-4-5-12(9-13)11(2)18(24)25/h3-11H,1,22H2,2H3,(H,24,25)