2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]ethanoate

Systemtic Name: 2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]ethanoate Openeye Name: 2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]ammonio]acetate CAS Name: 2-[[7-methoxy-2-(trifluoromethyl)-4-quinazolinyl]ammonio]acetate IUPAC Name: 2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]acetate Traditional Name: 2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]ammonio]acetate Formula: C12H10F3N3O3 MolecularWeight: 301.22131

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)[NH2+]CC(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)[NH2+]CC(=O)[O-]

InChI

InChI=1S/C12H10F3N3O3/c1-21-6-2-3-7-8(4-6)17-11(12(13,14)15)18-10(7)16-5-9(19)20/h2-4H,5H2,1H3,(H,19,20)(H,16,17,18)