4-[[6-azanyl-4-oxidanylidene-2-(trifluoromethyl)quinazolin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[6-azanyl-4-oxidanylidene-2-(trifluoromethyl)quinazolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-amino-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-amino-4-oxo-2-(trifluoromethyl)-3-quinazolinyl]methyl]benzoic acid IUPAC Name: 4-[[6-amino-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[6-amino-4-keto-2-(trifluoromethyl)quinazolin-3-yl]methyl]benzoic acid Formula: C17H12F3N3O3 MolecularWeight: 363.29069

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=O)C3=C(C=CC(=C3)N)N=C2C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN2C(=O)C3=C(C=CC(=C3)N)N=C2C(F)(F)F)C(=O)O

InChI

InChI=1S/C17H12F3N3O3/c18-17(19,20)16-22-13-6-5-11(21)7-12(13)14(24)23(16)8-9-1-3-10(4-2-9)15(25)26/h1-7H,8,21H2,(H,25,26)