2-cyanoethyl (4R,5S)-4-(2-chlorophenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: 2-cyanoethyl (4R,5S)-4-(2-chlorophenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-cyanoethyl (4R,5S)-4-(2-chlorophenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(2-chlorophenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl (4R,5S)-4-(2-chlorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(2-chlorophenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid 2-cyanoethyl ester Formula: C15H14ClN3O3 MolecularWeight: 319.74296

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=O)N1)C2=CC=CC=C2Cl)C(=O)OCCC#N

Isomeric SMILES

C=C1[C@H]([C@@H](NC(=O)N1)C2=CC=CC=C2Cl)C(=O)OCCC#N

InChI

InChI=1S/C15H14ClN3O3/c1-9-12(14(20)22-8-4-7-17)13(19-15(21)18-9)10-5-2-3-6-11(10)16/h2-3,5-6,12-13H,1,4,8H2,(H2,18,19,21)/t12-,13+/m1/s1