4-azanyl-4-oxidanylidene-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]butanoic acid

Systemtic Name: 4-azanyl-4-oxidanylidene-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]butanoic acid Openeye Name: 4-amino-4-oxo-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]butanoic acid CAS Name: 4-amino-4-oxo-2-[[2-(trifluoromethyl)-4-quinazolinyl]amino]butanoic acid IUPAC Name: 4-amino-4-oxo-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]butanoic acid Traditional Name: 4-amino-4-keto-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]butyric acid Formula: C13H11F3N4O3 MolecularWeight: 328.24665

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)NC(CC(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C13H11F3N4O3/c14-13(15,16)12-19-7-4-2-1-3-6(7)10(20-12)18-8(11(22)23)5-9(17)21/h1-4,8H,5H2,(H2,17,21)(H,22,23)(H,18,19,20)