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

Systemtic Name: 4-chloranyl-3-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid Openeye Name: 4-chloro-3-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid CAS Name: 4-chloro-3-[[6-methyl-2-(trifluoromethyl)-4-quinazolinyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid Traditional Name: 4-chloro-3-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid Formula: C17H11ClF3N3O2 MolecularWeight: 381.73635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2NC3=C(C=CC(=C3)C(=O)O)Cl)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2NC3=C(C=CC(=C3)C(=O)O)Cl)C(F)(F)F

InChI

InChI=1S/C17H11ClF3N3O2/c1-8-2-5-12-10(6-8)14(24-16(23-12)17(19,20)21)22-13-7-9(15(25)26)3-4-11(13)18/h2-7H,1H3,(H,25,26)(H,22,23,24)