[(1R)-1-cyanoethyl] (2S)-2-[(4-bromophenyl)carbonylamino]propanoate

Systemtic Name: [(1R)-1-cyanoethyl] (2S)-2-[(4-bromophenyl)carbonylamino]propanoate Openeye Name: [(1R)-1-cyanoethyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-bromophenyl)-oxomethyl]amino]propanoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-bromobenzoyl)amino]propionic acid [(1R)-1-cyanoethyl] ester Formula: C13H13BrN2O3 MolecularWeight: 325.15792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C(C)NC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

C[C@H](C#N)OC(=O)[C@H](C)NC(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C13H13BrN2O3/c1-8(7-15)19-13(18)9(2)16-12(17)10-3-5-11(14)6-4-10/h3-6,8-9H,1-2H3,(H,16,17)/t8-,9+/m1/s1