ethyl 2-[[(S)-(3-bromophenyl)-cyano-methyl]amino]ethanoate

Systemtic Name: ethyl 2-[[(S)-(3-bromophenyl)-cyano-methyl]amino]ethanoate Openeye Name: ethyl 2-[[(S)-(3-bromophenyl)-cyano-methyl]amino]acetate CAS Name: 2-[[(S)-(3-bromophenyl)-cyanomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(S)-(3-bromophenyl)-cyanomethyl]amino]acetate Traditional Name: 2-[[(S)-(3-bromophenyl)-cyano-methyl]amino]acetic acid ethyl ester Formula: C12H13BrN2O2 MolecularWeight: 297.14782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrN2O2/c1-2-17-12(16)8-15-11(7-14)9-4-3-5-10(13)6-9/h3-6,11,15H,2,8H2,1H3/t11-/m1/s1