methyl (5S,6R)-4-methylidene-2-oxidanylidene-6-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxylate

Systemtic Name: methyl (5S,6R)-4-methylidene-2-oxidanylidene-6-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxylate Openeye Name: methyl (5S,6R)-4-methylene-2-oxo-6-[2-(trifluoromethyl)phenyl]hexahydropyrimidine-5-carboxylate CAS Name: (5S,6R)-4-methylene-2-oxo-6-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl (5S,6R)-4-methylidene-2-oxo-6-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxylate Traditional Name: (5S,6R)-2-keto-4-methylene-6-[2-(trifluoromethyl)phenyl]hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C14H13F3N2O3 MolecularWeight: 314.25983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(NC(=O)NC1=C)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

COC(=O)[C@H]1[C@@H](NC(=O)NC1=C)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C14H13F3N2O3/c1-7-10(12(20)22-2)11(19-13(21)18-7)8-5-3-4-6-9(8)14(15,16)17/h3-6,10-11H,1H2,2H3,(H2,18,19,21)/t10-,11+/m1/s1