1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 3,5-bis(trifluoromethyl)benzoate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C19H12F6N2O3 MolecularWeight: 430.300599

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C19H12F6N2O3/c1-9(15-26-14-5-3-2-4-13(14)16(28)27-15)30-17(29)10-6-11(18(20,21)22)8-12(7-10)19(23,24)25/h2-9H,1H3,(H,26,27,28)