4-chloranyl-3-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid

Systemtic Name: 4-chloranyl-3-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid Openeye Name: 4-chloro-3-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid CAS Name: 4-chloro-3-[[6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid Traditional Name: 4-chloro-3-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid Formula: C18H13ClF3N3O4 MolecularWeight: 427.76173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)NC3=C(C=CC(=C3)C(=O)O)Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)NC3=C(C=CC(=C3)C(=O)O)Cl)OC

InChI

InChI=1S/C18H13ClF3N3O4/c1-28-13-6-9-11(7-14(13)29-2)24-17(18(20,21)22)25-15(9)23-12-5-8(16(26)27)3-4-10(12)19/h3-7H,1-2H3,(H,26,27)(H,23,24,25)