3-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoate

Systemtic Name: 3-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoate Openeye Name: 3-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoate CAS Name: 3-[[6-methyl-2-(trifluoromethyl)-4-quinazolinyl]amino]benzoate IUPAC Name: 3-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoate Traditional Name: 3-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoate Formula: C17H11F3N3O2- MolecularWeight: 346.28335

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2NC3=CC=CC(=C3)C(=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2NC3=CC=CC(=C3)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C17H12F3N3O2/c1-9-5-6-13-12(7-9)14(23-16(22-13)17(18,19)20)21-11-4-2-3-10(8-11)15(24)25/h2-8H,1H3,(H,24,25)(H,21,22,23)/p-1