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

Systemtic Name: tert-butyl N-[3-(3-chlorophenyl)-1-(cyanomethylamino)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[(3-chlorophenyl)methyl]-2-(cyanomethylamino)-2-oxo-ethyl]carbamate CAS Name: N-[3-(3-chlorophenyl)-1-(cyanomethylamino)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(3-chlorophenyl)-1-(cyanomethylamino)-1-oxopropan-2-yl]carbamate Traditional Name: N-[1-(3-chlorobenzyl)-2-(cyanomethylamino)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C16H20ClN3O3 MolecularWeight: 337.8013

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3O3/c1-16(2,3)23-15(22)20-13(14(21)19-8-7-18)10-11-5-4-6-12(17)9-11/h4-6,9,13H,8,10H2,1-3H3,(H,19,21)(H,20,22)