2-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]ethanoate

Systemtic Name: 2-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]ethanoate Openeye Name: 2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]ammonio]acetate CAS Name: 2-[[6-bromo-2-(trifluoromethyl)-4-quinazolinyl]ammonio]acetate IUPAC Name: 2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]acetate Traditional Name: 2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]ammonio]acetate Formula: C11H7BrF3N3O2 MolecularWeight: 350.09139

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=NC(=N2)C(F)(F)F)[NH2+]CC(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=NC(=N2)C(F)(F)F)[NH2+]CC(=O)[O-]

InChI

InChI=1S/C11H7BrF3N3O2/c12-5-1-2-7-6(3-5)9(16-4-8(19)20)18-10(17-7)11(13,14)15/h1-3H,4H2,(H,19,20)(H,16,17,18)