4-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinazoline-7-carboxylate

Systemtic Name: 4-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinazoline-7-carboxylate Openeye Name: 4-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinazoline-7-carboxylate IUPAC Name: 4-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[3-(trifluoromethyl)benzyl]-1H-quinazoline-7-carboxylate Formula: C17H10F3N2O3- MolecularWeight: 347.26811

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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