3-[4-[2-(4-bromophenyl)ethanoyl]phenyl]-2-[2,2,2-tris(fluoranyl)ethanoyloxyamino]propanoic acid

Systemtic Name: 3-[4-[2-(4-bromophenyl)ethanoyl]phenyl]-2-[2,2,2-tris(fluoranyl)ethanoyloxyamino]propanoic acid Openeye Name: 3-[4-[2-(4-bromophenyl)acetyl]phenyl]-2-[(2,2,2-trifluoroacetyl)oxyamino]propanoic acid CAS Name: 3-[4-[2-(4-bromophenyl)-1-oxoethyl]phenyl]-2-[(2,2,2-trifluoro-1-oxoethoxy)amino]propanoic acid IUPAC Name: 3-[4-[2-(4-bromophenyl)acetyl]phenyl]-2-[(2,2,2-trifluoroacetyl)oxyamino]propanoic acid Traditional Name: 3-[4-[2-(4-bromophenyl)acetyl]phenyl]-2-[(2,2,2-trifluoroacetyl)oxyamino]propionic acid Formula: C19H15BrF3NO5 MolecularWeight: 474.22531

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NOC(=O)C(F)(F)F)C(=O)CC2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)NOC(=O)C(F)(F)F)C(=O)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C19H15BrF3NO5/c20-14-7-3-12(4-8-14)10-16(25)13-5-1-11(2-6-13)9-15(17(26)27)24-29-18(28)19(21,22)23/h1-8,15,24H,9-10H2,(H,26,27)