2-[[4-oxidanylidene-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl]benzoate

Systemtic Name: 2-[[4-oxidanylidene-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl]benzoate Openeye Name: 2-[[4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl]benzoate CAS Name: 2-[[4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl]benzoate IUPAC Name: 2-[[4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl]benzoate Traditional Name: 2-[[4-keto-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl]benzoate Formula: C17H10F3N2O3- MolecularWeight: 347.26811

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C17H11F3N2O3/c18-17(19,20)10-5-6-12-13(8-10)21-14(22-15(12)23)7-9-3-1-2-4-11(9)16(24)25/h1-6,8H,7H2,(H,24,25)(H,21,22,23)/p-1