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

Systemtic Name: tert-butyl N-[1-(cyanomethylamino)-3-(3-methylphenyl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-(cyanomethylamino)-1-(m-tolylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[1-(cyanomethylamino)-3-(3-methylphenyl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(cyanomethylamino)-3-(3-methylphenyl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-(cyanomethylamino)-2-keto-1-(3-methylbenzyl)ethyl]carbamic acid tert-butyl ester Formula: C17H23N3O3 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O3/c1-12-6-5-7-13(10-12)11-14(15(21)19-9-8-18)20-16(22)23-17(2,3)4/h5-7,10,14H,9,11H2,1-4H3,(H,19,21)(H,20,22)