[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-(trifluoromethyloxy)benzoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-(trifluoromethyloxy)benzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 4-(trifluoromethoxy)benzoate CAS Name: 4-(trifluoromethoxy)benzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 4-(trifluoromethoxy)benzoate Traditional Name: 4-(trifluoromethoxy)benzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C19H12F3N3O4 MolecularWeight: 403.31149

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=CC=C(C=C3)OC(F)(F)F)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=CC=C(C=C3)OC(F)(F)F)CC#N

InChI

InChI=1S/C19H12F3N3O4/c20-19(21,22)29-13-7-5-12(6-8-13)18(27)28-11-16-24-15-4-2-1-3-14(15)17(26)25(16)10-9-23/h1-8H,10-11H2