ethyl (2S)-2-cyano-3-[(4-fluorophenyl)methylimino]propanoate

Systemtic Name: ethyl (2S)-2-cyano-3-[(4-fluorophenyl)methylimino]propanoate Openeye Name: ethyl (2S)-2-cyano-3-[(4-fluorophenyl)methylimino]propanoate CAS Name: (2S)-2-cyano-3-[(4-fluorophenyl)methylimino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-cyano-3-[(4-fluorophenyl)methylimino]propanoate Traditional Name: (2S)-2-cyano-3-(4-fluorobenzyl)imino-propionic acid ethyl ester Formula: C13H13FN2O2 MolecularWeight: 248.252923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NCC1=CC=C(C=C1)F)C#N

Isomeric SMILES

CCOC(=O)[C@@H](C=NCC1=CC=C(C=C1)F)C#N

InChI

InChI=1S/C13H13FN2O2/c1-2-18-13(17)11(7-15)9-16-8-10-3-5-12(14)6-4-10/h3-6,9,11H,2,8H2,1H3/t11-/m1/s1