ethyl (2S,3S)-2,3-dicyano-3-phenyl-propanoate

Systemtic Name: ethyl (2S,3S)-2,3-dicyano-3-phenyl-propanoate Openeye Name: ethyl (2S,3S)-2,3-dicyano-3-phenyl-propanoate CAS Name: (2S,3S)-2,3-dicyano-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S,3S)-2,3-dicyano-3-phenylpropanoate Traditional Name: (2S,3S)-2,3-dicyano-3-phenyl-propionic acid ethyl ester Formula: C13H12N2O2 MolecularWeight: 228.24658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(C#N)C1=CC=CC=C1

Isomeric SMILES

CCOC(=O)[C@H](C#N)[C@H](C#N)C1=CC=CC=C1

InChI

InChI=1S/C13H12N2O2/c1-2-17-13(16)12(9-15)11(8-14)10-6-4-3-5-7-10/h3-7,11-12H,2H2,1H3/t11-,12-/m1/s1