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

Systemtic Name: 4-chloranyl-3-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoate Openeye Name: 4-chloro-3-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoate CAS Name: 4-chloro-3-[[6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinyl]amino]benzoate IUPAC Name: 4-chloro-3-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoate Traditional Name: 4-chloro-3-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoate Formula: C18H12ClF3N3O4- MolecularWeight: 426.75379

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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)/p-1