(Z)-3-bromanyl-1,1,1-tris(fluoranyl)-4-(pyridin-3-ylmethylamino)but-3-en-2-one

Systemtic Name: (Z)-3-bromanyl-1,1,1-tris(fluoranyl)-4-(pyridin-3-ylmethylamino)but-3-en-2-one Openeye Name: (Z)-3-bromo-1,1,1-trifluoro-4-(3-pyridylmethylamino)but-3-en-2-one CAS Name: (Z)-3-bromo-1,1,1-trifluoro-4-(3-pyridinylmethylamino)-3-buten-2-one IUPAC Name: (Z)-3-bromo-1,1,1-trifluoro-4-(pyridin-3-ylmethylamino)but-3-en-2-one Traditional Name: (Z)-3-bromo-1,1,1-trifluoro-4-(3-pyridylmethylamino)but-3-en-2-one Formula: C10H8BrF3N2O MolecularWeight: 309.08253

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC=C(C(=O)C(F)(F)F)Br

Isomeric SMILES

C1=CC(=CN=C1)CN/C=C(/C(=O)C(F)(F)F)\Br

InChI

InChI=1S/C10H8BrF3N2O/c11-8(9(17)10(12,13)14)6-16-5-7-2-1-3-15-4-7/h1-4,6,16H,5H2/b8-6-