2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]ethanoate

Systemtic Name: 2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]ethanoate Openeye Name: 2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]ammonio]acetate CAS Name: 2-[[6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinyl]ammonio]acetate IUPAC Name: 2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]acetate Traditional Name: 2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]ammonio]acetate Formula: C13H12F3N3O4 MolecularWeight: 331.24729

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)[NH2+]CC(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)[NH2+]CC(=O)[O-])OC

InChI

InChI=1S/C13H12F3N3O4/c1-22-8-3-6-7(4-9(8)23-2)18-12(13(14,15)16)19-11(6)17-5-10(20)21/h3-4H,5H2,1-2H3,(H,20,21)(H,17,18,19)