[4-azanyl-3-cyano-2-(trifluoromethyl)quinolin-6-yl]boronic acid

Systemtic Name: [4-azanyl-3-cyano-2-(trifluoromethyl)quinolin-6-yl]boronic acid Openeye Name: [4-amino-3-cyano-2-(trifluoromethyl)-6-quinolyl]boronic acid CAS Name: [4-amino-3-cyano-2-(trifluoromethyl)-6-quinolinyl]boronic acid IUPAC Name: [4-amino-3-cyano-2-(trifluoromethyl)quinolin-6-yl]boronic acid Traditional Name: [4-amino-3-cyano-2-(trifluoromethyl)-6-quinolyl]boronic acid Formula: C11H7BF3N3O2 MolecularWeight: 280.99839

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC2=C(C=C1)N=C(C(=C2N)C#N)C(F)(F)F)(O)O

Isomeric SMILES

B(C1=CC2=C(C=C1)N=C(C(=C2N)C#N)C(F)(F)F)(O)O

InChI

InChI=1S/C11H7BF3N3O2/c13-11(14,15)10-7(4-16)9(17)6-3-5(12(19)20)1-2-8(6)18-10/h1-3,19-20H,(H2,17,18)