5-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[[6-bromo-2-(trifluoromethyl)-4-quinazolinyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-hydroxy-benzoic acid Formula: C16H9BrF3N3O3 MolecularWeight: 428.16017

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=NC(=NC3=C2C=C(C=C3)Br)C(F)(F)F)C(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1NC2=NC(=NC3=C2C=C(C=C3)Br)C(F)(F)F)C(=O)O)O

InChI

InChI=1S/C16H9BrF3N3O3/c17-7-1-3-11-9(5-7)13(23-15(22-11)16(18,19)20)21-8-2-4-12(24)10(6-8)14(25)26/h1-6,24H,(H,25,26)(H,21,22,23)