4-chloranyl-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid

Systemtic Name: 4-chloranyl-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid Openeye Name: 4-chloro-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid CAS Name: 4-chloro-3-[[2-(trifluoromethyl)-4-quinazolinyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid Formula: C16H9ClF3N3O2 MolecularWeight: 367.70977

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9ClF3N3O2/c17-10-6-5-8(14(24)25)7-12(10)21-13-9-3-1-2-4-11(9)22-15(23-13)16(18,19)20/h1-7H,(H,24,25)(H,21,22,23)