4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid hydrochloride

Systemtic Name: 4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid hydrochloride Openeye Name: 4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid hydrochloride CAS Name: 4-[[2-(trifluoromethyl)-4-quinazolinyl]amino]benzoic acid hydrochloride IUPAC Name: 4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid hydrochloride Traditional Name: 4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid hydrochloride Formula: C16H11ClF3N3O2 MolecularWeight: 369.72565

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)NC3=CC=C(C=C3)C(=O)O.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)NC3=CC=C(C=C3)C(=O)O.Cl

InChI

InChI=1S/C16H10F3N3O2.ClH/c17-16(18,19)15-21-12-4-2-1-3-11(12)13(22-15)20-10-7-5-9(6-8-10)14(23)24;/h1-8H,(H,23,24)(H,20,21,22);1H