3-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-chloranyl-benzoic acid

Systemtic Name: 3-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-chloranyl-benzoic acid Openeye Name: 3-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-chloro-benzoic acid CAS Name: 3-[[6-bromo-2-(trifluoromethyl)-4-quinazolinyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-chlorobenzoic acid Traditional Name: 3-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-chloro-benzoic acid Formula: C16H8BrClF3N3O2 MolecularWeight: 446.60583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)NC2=NC(=NC3=C2C=C(C=C3)Br)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)NC2=NC(=NC3=C2C=C(C=C3)Br)C(F)(F)F)Cl

InChI

InChI=1S/C16H8BrClF3N3O2/c17-8-2-4-11-9(6-8)13(24-15(23-11)16(19,20)21)22-12-5-7(14(25)26)1-3-10(12)18/h1-6H,(H,25,26)(H,22,23,24)