4-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-oxidanyl-benzoate

Systemtic Name: 4-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-oxidanyl-benzoate Openeye Name: 4-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-hydroxy-benzoate CAS Name: 4-[[6-bromo-2-(trifluoromethyl)-4-quinazolinyl]amino]-2-hydroxybenzoate IUPAC Name: 4-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-hydroxybenzoate Traditional Name: 4-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-hydroxy-benzoate Formula: C16H8BrF3N3O3- MolecularWeight: 427.15223

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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)O)C(=O)[O-]

Isomeric SMILES

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

InChI

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