4-[[[2-azanyl-4-oxidanylidene-5-(trifluoromethyl)-1H-quinazolin-6-yl]-[2,2,2-tris(fluoranyl)ethanoyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[2-azanyl-4-oxidanylidene-5-(trifluoromethyl)-1H-quinazolin-6-yl]-[2,2,2-tris(fluoranyl)ethanoyl]amino]methyl]benzoic acid Openeye Name: 4-[[[2-amino-4-oxo-5-(trifluoromethyl)-1H-quinazolin-6-yl]-(2,2,2-trifluoroacetyl)amino]methyl]benzoic acid CAS Name: 4-[[[2-amino-4-oxo-5-(trifluoromethyl)-1H-quinazolin-6-yl]-(2,2,2-trifluoro-1-oxoethyl)amino]methyl]benzoic acid IUPAC Name: 4-[[[2-amino-4-oxo-5-(trifluoromethyl)-1H-quinazolin-6-yl]-(2,2,2-trifluoroacetyl)amino]methyl]benzoic acid Traditional Name: 4-[[[2-amino-4-keto-5-(trifluoromethyl)-1H-quinazolin-6-yl]-(2,2,2-trifluoroacetyl)amino]methyl]benzoic acid Formula: C19H12F6N4O4 MolecularWeight: 474.313399

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(C2=C(C3=C(C=C2)NC(=NC3=O)N)C(F)(F)F)C(=O)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN(C2=C(C3=C(C=C2)NC(=NC3=O)N)C(F)(F)F)C(=O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C19H12F6N4O4/c20-18(21,22)13-11(6-5-10-12(13)14(30)28-17(26)27-10)29(16(33)19(23,24)25)7-8-1-3-9(4-2-8)15(31)32/h1-6H,7H2,(H,31,32)(H3,26,27,28,30)