tert-butyl N-[(2S)-3-(4-bromophenyl)-1-(cyanomethylamino)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-3-(4-bromophenyl)-1-(cyanomethylamino)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[(4-bromophenyl)methyl]-2-(cyanomethylamino)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-3-(4-bromophenyl)-1-(cyanomethylamino)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-3-(4-bromophenyl)-1-(cyanomethylamino)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-1-(4-bromobenzyl)-2-(cyanomethylamino)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C16H20BrN3O3 MolecularWeight: 382.2523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)Br)C(=O)NCC#N

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)Br)C(=O)NCC#N

InChI

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