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

Systemtic Name: ethyl (2S)-2-cyano-3-[(S)-cyano-(4-fluorophenyl)methyl]imino-propanoate Openeye Name: ethyl (2S)-2-cyano-3-[(S)-cyano-(4-fluorophenyl)methyl]imino-propanoate CAS Name: (2S)-2-cyano-3-[(S)-cyano-(4-fluorophenyl)methyl]iminopropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-cyano-3-[(S)-cyano-(4-fluorophenyl)methyl]iminopropanoate Traditional Name: (2S)-2-cyano-3-[(S)-cyano-(4-fluorophenyl)methyl]imino-propionic acid ethyl ester Formula: C14H12FN3O2 MolecularWeight: 273.262383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12FN3O2/c1-2-20-14(19)11(7-16)9-18-13(8-17)10-3-5-12(15)6-4-10/h3-6,9,11,13H,2H2,1H3/t11-,13-/m1/s1