6-methyl-4-oxidanylidene-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxylate

Systemtic Name: 6-methyl-4-oxidanylidene-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxylate Openeye Name: 6-methyl-4-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxylate IUPAC Name: 6-methyl-4-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxylate Traditional Name: 4-keto-6-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxylate Formula: C13H8F3N2O3- MolecularWeight: 297.20943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N=C(N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C13H9F3N2O3/c1-6-9(12(20)21)11(19)18-10(17-6)7-2-4-8(5-3-7)13(14,15)16/h2-5H,1H3,(H,20,21)(H,17,18,19)/p-1