4-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-oxidanyl-benzoate

Systemtic Name: 4-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-oxidanyl-benzoate Openeye Name: 4-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-hydroxy-benzoate CAS Name: 4-[[6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinyl]amino]-2-hydroxybenzoate IUPAC Name: 4-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-hydroxybenzoate Traditional Name: 4-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-hydroxy-benzoate Formula: C18H13F3N3O5- MolecularWeight: 408.30813

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=CC(=C(C=C3)C(=O)[O-])O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)NC3=CC(=C(C=C3)C(=O)[O-])O)OC

InChI

InChI=1S/C18H14F3N3O5/c1-28-13-6-10-11(7-14(13)29-2)23-17(18(19,20)21)24-15(10)22-8-3-4-9(16(26)27)12(25)5-8/h3-7,25H,1-2H3,(H,26,27)(H,22,23,24)/p-1