methyl (4S,5R)-5-cyano-5-phenyl-4H-1,3-oxazole-4-carboxylate

Systemtic Name: methyl (4S,5R)-5-cyano-5-phenyl-4H-1,3-oxazole-4-carboxylate Openeye Name: methyl (4S,5R)-5-cyano-5-phenyl-4H-oxazole-4-carboxylate CAS Name: (4S,5R)-5-cyano-5-phenyl-4H-oxazole-4-carboxylic acid methyl ester IUPAC Name: methyl (4S,5R)-5-cyano-5-phenyl-4H-1,3-oxazole-4-carboxylate Traditional Name: (4S,5R)-5-cyano-5-phenyl-2-oxazoline-4-carboxylic acid methyl ester Formula: C12H10N2O3 MolecularWeight: 230.2194

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(OC=N1)(C#N)C2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@@H]1[C@@](OC=N1)(C#N)C2=CC=CC=C2

InChI

InChI=1S/C12H10N2O3/c1-16-11(15)10-12(7-13,17-8-14-10)9-5-3-2-4-6-9/h2-6,8,10H,1H3/t10-,12-/m1/s1