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

Systemtic Name: methyl 4-chloranyl-3-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoate Openeye Name: methyl 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]benzoic acid methyl ester IUPAC Name: methyl 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]benzoic acid methyl ester Formula: C19H15ClF3N3O4 MolecularWeight: 441.78831

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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)OC)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClF3N3O4/c1-28-14-7-10-12(8-15(14)29-2)25-18(19(21,22)23)26-16(10)24-13-6-9(17(27)30-3)4-5-11(13)20/h4-8H,1-3H3,(H,24,25,26)