[(1S)-1-(4-azanyl-3-chloranyl-5-cyano-phenyl)-2-bromanyl-ethyl] ethanoate

Systemtic Name: [(1S)-1-(4-azanyl-3-chloranyl-5-cyano-phenyl)-2-bromanyl-ethyl] ethanoate Openeye Name: [(1S)-1-(4-amino-3-chloro-5-cyano-phenyl)-2-bromo-ethyl] acetate CAS Name: acetic acid [(1S)-1-(4-amino-3-chloro-5-cyanophenyl)-2-bromoethyl] ester IUPAC Name: [(1S)-1-(4-amino-3-chloro-5-cyanophenyl)-2-bromoethyl] acetate Traditional Name: acetic acid [(1S)-1-(4-amino-3-chloro-5-cyano-phenyl)-2-bromo-ethyl] ester Formula: C11H10BrClN2O2 MolecularWeight: 317.5663

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CBr)C1=CC(=C(C(=C1)C#N)N)Cl

Isomeric SMILES

CC(=O)O[C@H](CBr)C1=CC(=C(C(=C1)C#N)N)Cl

InChI

InChI=1S/C11H10BrClN2O2/c1-6(16)17-10(4-12)7-2-8(5-14)11(15)9(13)3-7/h2-3,10H,4,15H2,1H3/t10-/m1/s1