4-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoate

Systemtic Name: 4-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoate Openeye Name: 4-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoate CAS Name: 4-[[6-bromo-2-(trifluoromethyl)-4-quinazolinyl]amino]benzoate IUPAC Name: 4-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoate Traditional Name: 4-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoate Formula: C16H8BrF3N3O2- MolecularWeight: 411.15283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])NC2=NC(=NC3=C2C=C(C=C3)Br)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])NC2=NC(=NC3=C2C=C(C=C3)Br)C(F)(F)F

InChI

InChI=1S/C16H9BrF3N3O2/c17-9-3-6-12-11(7-9)13(23-15(22-12)16(18,19)20)21-10-4-1-8(2-5-10)14(24)25/h1-7H,(H,24,25)(H,21,22,23)/p-1