(5-azido-4-methyl-pentan-2-yl) benzoate; 2-octadecyl-1,2-oxaziridin-3-one

Systemtic Name: (5-azido-4-methyl-pentan-2-yl) benzoate; 2-octadecyl-1,2-oxaziridin-3-one Openeye Name: (4-azido-1,3-dimethyl-butyl) benzoate; 2-octadecyloxaziridin-3-one CAS Name: benzoic acid (5-azido-4-methylpentan-2-yl) ester; 2-octadecyl-3-oxaziridinone IUPAC Name: (5-azido-4-methylpentan-2-yl) benzoate; 2-octadecyloxaziridin-3-one Traditional Name: benzoic acid (4-azido-1,3-dimethyl-butyl) ester; 2-stearyloxaziridin-3-one Formula: C32H54N4O4 MolecularWeight: 558.79556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=O)O1.CC(CC(C)OC(=O)C1=CC=CC=C1)CN=[N+]=[N-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=O)O1.CC(CC(C)OC(=O)C1=CC=CC=C1)CN=[N+]=[N-]

InChI

InChI=1S/C19H37NO2.C13H17N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19(21)22-20;1-10(9-15-16-14)8-11(2)18-13(17)12-6-4-3-5-7-12/h2-18H2,1H3;3-7,10-11H,8-9H2,1-2H3