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

Systemtic Name: 5-cyano-6-methyl-2-oxidanylidene-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carboxylic acid Openeye Name: 5-cyano-6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carboxylic acid CAS Name: 5-cyano-6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carboxylic acid IUPAC Name: 5-cyano-6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carboxylic acid Traditional Name: 5-cyano-2-keto-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carboxylic acid Formula: C14H10F3N3O3 MolecularWeight: 325.24271

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)C(=O)O)C2=CC=CC=C2C(F)(F)F)C#N

Isomeric SMILES

CC1=C(C(N(C(=O)N1)C(=O)O)C2=CC=CC=C2C(F)(F)F)C#N

InChI

InChI=1S/C14H10F3N3O3/c1-7-9(6-18)11(20(13(22)23)12(21)19-7)8-4-2-3-5-10(8)14(15,16)17/h2-5,11H,1H3,(H,19,21)(H,22,23)