2-[[(2-methoxy-2-oxidanylidene-ethyl)-methyl-azaniumyl]methyl]-7-(trifluoromethyl)quinazolin-4-olate

Systemtic Name: 2-[[(2-methoxy-2-oxidanylidene-ethyl)-methyl-azaniumyl]methyl]-7-(trifluoromethyl)quinazolin-4-olate Openeye Name: 2-[[(2-methoxy-2-oxo-ethyl)-methyl-ammonio]methyl]-7-(trifluoromethyl)quinazolin-4-olate CAS Name: 2-[[(2-methoxy-2-oxoethyl)-methylammonio]methyl]-7-(trifluoromethyl)-4-quinazolinolate IUPAC Name: 2-[[(2-methoxy-2-oxoethyl)-methylazaniumyl]methyl]-7-(trifluoromethyl)quinazolin-4-olate Traditional Name: 2-[[(2-keto-2-methoxy-ethyl)-methyl-ammonio]methyl]-7-(trifluoromethyl)quinazolin-4-olate Formula: C14H14F3N3O3 MolecularWeight: 329.27447

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=C(C=CC(=C2)C(F)(F)F)C(=N1)[O-])CC(=O)OC

Isomeric SMILES

C[NH+](CC1=NC2=C(C=CC(=C2)C(F)(F)F)C(=N1)[O-])CC(=O)OC

InChI

InChI=1S/C14H14F3N3O3/c1-20(7-12(21)23-2)6-11-18-10-5-8(14(15,16)17)3-4-9(10)13(22)19-11/h3-5H,6-7H2,1-2H3,(H,18,19,22)