5-cyano-4-[2-fluoranyl-5-(trifluoromethyl)phenyl]-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxylic acid

Systemtic Name: 5-cyano-4-[2-fluoranyl-5-(trifluoromethyl)phenyl]-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxylic acid Openeye Name: 5-cyano-4-[2-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid CAS Name: 5-cyano-4-[2-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid IUPAC Name: 5-cyano-4-[2-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid Traditional Name: 5-cyano-4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-keto-6-methyl-1,4-dihydropyrimidine-3-carboxylic acid Formula: C14H9F4N3O3 MolecularWeight: 343.233173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)C(=O)O)C2=C(C=CC(=C2)C(F)(F)F)F)C#N

Isomeric SMILES

CC1=C(C(N(C(=O)N1)C(=O)O)C2=C(C=CC(=C2)C(F)(F)F)F)C#N

InChI

InChI=1S/C14H9F4N3O3/c1-6-9(5-19)11(21(13(23)24)12(22)20-6)8-4-7(14(16,17)18)2-3-10(8)15/h2-4,11H,1H3,(H,20,22)(H,23,24)