ethanoyl (2S)-2-azanyl-3-(3-bromophenyl)-3-cyano-propanoate

Systemtic Name: ethanoyl (2S)-2-azanyl-3-(3-bromophenyl)-3-cyano-propanoate Openeye Name: acetyl (2S)-2-amino-3-(3-bromophenyl)-3-cyano-propanoate CAS Name: (2S)-2-amino-3-(3-bromophenyl)-3-cyanopropanoic acid acetyl ester IUPAC Name: acetyl (2S)-2-amino-3-(3-bromophenyl)-3-cyanopropanoate Traditional Name: (2S)-2-amino-3-(3-bromophenyl)-3-cyano-propionic acid acetyl ester Formula: C12H11BrN2O3 MolecularWeight: 311.13134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11BrN2O3/c1-7(16)18-12(17)11(15)10(6-14)8-3-2-4-9(13)5-8/h2-5,10-11H,15H2,1H3/t10?,11-/m0/s1