ethyl (3R,4S)-2-methylidene-5-oxidanylidene-4-(pyridin-3-ylcarbonylamino)-4-(trifluoromethyl)pyrrolidine-3-carboxylate

Systemtic Name: ethyl (3R,4S)-2-methylidene-5-oxidanylidene-4-(pyridin-3-ylcarbonylamino)-4-(trifluoromethyl)pyrrolidine-3-carboxylate Openeye Name: ethyl (3R,4S)-2-methylene-5-oxo-4-(pyridine-3-carbonylamino)-4-(trifluoromethyl)pyrrolidine-3-carboxylate CAS Name: (3R,4S)-2-methylene-5-oxo-4-[[oxo(3-pyridinyl)methyl]amino]-4-(trifluoromethyl)-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4S)-2-methylidene-5-oxo-4-(pyridine-3-carbonylamino)-4-(trifluoromethyl)pyrrolidine-3-carboxylate Traditional Name: (3R,4S)-5-keto-2-methylene-4-nicotinamido-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C15H14F3N3O4 MolecularWeight: 357.28457

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=C)NC(=O)C1(C(F)(F)F)NC(=O)C2=CN=CC=C2

Isomeric SMILES

CCOC(=O)[C@@H]1C(=C)NC(=O)[C@@]1(C(F)(F)F)NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C15H14F3N3O4/c1-3-25-12(23)10-8(2)20-13(24)14(10,15(16,17)18)21-11(22)9-5-4-6-19-7-9/h4-7,10H,2-3H2,1H3,(H,20,24)(H,21,22)/t10-,14-/m0/s1