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

Systemtic Name: methyl 4-oxidanylidene-2-(trifluoromethyl)-1H-quinazoline-6-carboxylate Openeye Name: methyl 4-oxo-2-(trifluoromethyl)-1H-quinazoline-6-carboxylate CAS Name: 4-oxo-2-(trifluoromethyl)-1H-quinazoline-6-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-(trifluoromethyl)-1H-quinazoline-6-carboxylate Traditional Name: 4-keto-2-(trifluoromethyl)-1H-quinazoline-6-carboxylic acid methyl ester Formula: C11H7F3N2O3 MolecularWeight: 272.18009

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H7F3N2O3/c1-19-9(18)5-2-3-7-6(4-5)8(17)16-10(15-7)11(12,13)14/h2-4H,1H3,(H,15,16,17)