tert-butyl N-[(2S)-3-(2-bromophenyl)-1-(cyanomethylamino)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-3-(2-bromophenyl)-1-(cyanomethylamino)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[(2-bromophenyl)methyl]-2-(cyanomethylamino)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-3-(2-bromophenyl)-1-(cyanomethylamino)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-3-(2-bromophenyl)-1-(cyanomethylamino)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-1-(2-bromobenzyl)-2-(cyanomethylamino)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C16H20BrN3O3 MolecularWeight: 382.2523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1Br)C(=O)NCC#N

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1Br)C(=O)NCC#N

InChI

InChI=1S/C16H20BrN3O3/c1-16(2,3)23-15(22)20-13(14(21)19-9-8-18)10-11-6-4-5-7-12(11)17/h4-7,13H,9-10H2,1-3H3,(H,19,21)(H,20,22)/t13-/m0/s1