(1E)-1-isocyanato-1-(2,2,5,5-tetramethyl-1-oxidanyl-imidazolidin-4-ylidene)pentan-2-one

Systemtic Name: (1E)-1-isocyanato-1-(2,2,5,5-tetramethyl-1-oxidanyl-imidazolidin-4-ylidene)pentan-2-one Openeye Name: (1E)-1-(1-hydroxy-2,2,5,5-tetramethyl-imidazolidin-4-ylidene)-1-isocyanato-pentan-2-one CAS Name: (1E)-1-(1-hydroxy-2,2,5,5-tetramethyl-4-imidazolidinylidene)-1-isocyanato-2-pentanone IUPAC Name: (1E)-1-(1-hydroxy-2,2,5,5-tetramethylimidazolidin-4-ylidene)-1-isocyanatopentan-2-one Traditional Name: (1E)-1-(1-hydroxy-2,2,5,5-tetramethyl-imidazolidin-4-ylidene)-1-isocyanato-pentan-2-one Formula: C13H21N3O3 MolecularWeight: 267.32414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(=C1C(N(C(N1)(C)C)O)(C)C)N=C=O

Isomeric SMILES

CCCC(=O)/C(=C\1/C(N(C(N1)(C)C)O)(C)C)/N=C=O

InChI

InChI=1S/C13H21N3O3/c1-6-7-9(18)10(14-8-17)11-12(2,3)16(19)13(4,5)15-11/h15,19H,6-7H2,1-5H3/b11-10+