2-[4-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]phenyl]ethanoate

Systemtic Name: 2-[4-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]phenyl]ethanoate Openeye Name: 2-[4-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]phenyl]acetate CAS Name: 2-[4-[[6-bromo-2-(trifluoromethyl)-4-quinazolinyl]amino]phenyl]acetate IUPAC Name: 2-[4-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]phenyl]acetate Traditional Name: 2-[4-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]phenyl]acetate Formula: C17H10BrF3N3O2- MolecularWeight: 425.17941

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)[O-])NC2=NC(=NC3=C2C=C(C=C3)Br)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CC(=O)[O-])NC2=NC(=NC3=C2C=C(C=C3)Br)C(F)(F)F

InChI

InChI=1S/C17H11BrF3N3O2/c18-10-3-6-13-12(8-10)15(24-16(23-13)17(19,20)21)22-11-4-1-9(2-5-11)7-14(25)26/h1-6,8H,7H2,(H,25,26)(H,22,23,24)/p-1