tert-butyl N-[1,5-bis(azanyl)-1-oxidanylidene-pentan-2-yl]carbamate; prop-2-enenitrile

Systemtic Name: tert-butyl N-[1,5-bis(azanyl)-1-oxidanylidene-pentan-2-yl]carbamate; prop-2-enenitrile Openeye Name: tert-butyl N-(4-amino-1-carbamoyl-butyl)carbamate; prop-2-enenitrile CAS Name: N-(1,5-diamino-1-oxopentan-2-yl)carbamic acid tert-butyl ester; 2-propenenitrile IUPAC Name: tert-butyl N-(1,5-diamino-1-oxopentan-2-yl)carbamate; prop-2-enenitrile Traditional Name: acrylonitrile; N-(4-amino-1-carbamoyl-butyl)carbamic acid tert-butyl ester Formula: C13H24N4O3 MolecularWeight: 284.35466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCN)C(=O)N.C=CC#N

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCCN)C(=O)N.C=CC#N

InChI

InChI=1S/C10H21N3O3.C3H3N/c1-10(2,3)16-9(15)13-7(8(12)14)5-4-6-11;1-2-3-4/h7H,4-6,11H2,1-3H3,(H2,12,14)(H,13,15);2H,1H2