5-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: 5-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: 5-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[7-methoxy-2-(trifluoromethyl)-4-quinazolinyl]amino]benzene-1,3-dicarboxylate IUPAC Name: 5-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]isophthalate Formula: C18H10F3N3O5-2 MolecularWeight: 405.28431

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)NC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)NC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C18H12F3N3O5/c1-29-11-2-3-12-13(7-11)23-17(18(19,20)21)24-14(12)22-10-5-8(15(25)26)4-9(6-10)16(27)28/h2-7H,1H3,(H,25,26)(H,27,28)(H,22,23,24)/p-2