methyl 4-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethoxymethyl]-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethoxymethyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-(2,2,2-trifluoroethoxymethyl)-1H-quinazoline-7-carboxylic acid methyl ester Formula: C13H11F3N2O4 MolecularWeight: 316.23265

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COCC(F)(F)F

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COCC(F)(F)F

InChI

InChI=1S/C13H11F3N2O4/c1-21-12(20)7-2-3-8-9(4-7)17-10(18-11(8)19)5-22-6-13(14,15)16/h2-4H,5-6H2,1H3,(H,17,18,19)