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

Systemtic Name: ethyl 5-cyano-6-methyl-2-oxidanylidene-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carboxylate Openeye Name: ethyl 5-cyano-6-methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carboxylate CAS Name: 5-cyano-6-methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carboxylate Traditional Name: 5-cyano-2-keto-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carboxylic acid ethyl ester Formula: C16H14F3N3O3 MolecularWeight: 353.29587

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(C(=C(NC1=O)C)C#N)C2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)N1C(C(=C(NC1=O)C)C#N)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C16H14F3N3O3/c1-3-25-15(24)22-13(12(8-20)9(2)21-14(22)23)10-5-4-6-11(7-10)16(17,18)19/h4-7,13H,3H2,1-2H3,(H,21,23)