5-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]isophthalic acid Formula: C19H14F3N3O6 MolecularWeight: 437.32617

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14F3N3O6/c1-30-13-6-11-12(7-14(13)31-2)24-18(19(20,21)22)25-15(11)23-10-4-8(16(26)27)3-9(5-10)17(28)29/h3-7H,1-2H3,(H,26,27)(H,28,29)(H,23,24,25)