ethyl 4-oxidanylidene-2-(trifluoromethyl)-1H-quinazoline-6-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-2-(trifluoromethyl)-1H-quinazoline-6-carboxylate Openeye Name: ethyl 4-oxo-2-(trifluoromethyl)-1H-quinazoline-6-carboxylate CAS Name: 4-oxo-2-(trifluoromethyl)-1H-quinazoline-6-carboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-2-(trifluoromethyl)-1H-quinazoline-6-carboxylate Traditional Name: 4-keto-2-(trifluoromethyl)-1H-quinazoline-6-carboxylic acid ethyl ester Formula: C12H9F3N2O3 MolecularWeight: 286.20667

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)NC(=NC2=O)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)NC(=NC2=O)C(F)(F)F

InChI

InChI=1S/C12H9F3N2O3/c1-2-20-10(19)6-3-4-8-7(5-6)9(18)17-11(16-8)12(13,14)15/h3-5H,2H2,1H3,(H,16,17,18)