(phenylmethyl) N-[6-[(4-nitrophenoxy)carbonylamino]hexyl]carbamate

Systemtic Name: (phenylmethyl) N-[6-[(4-nitrophenoxy)carbonylamino]hexyl]carbamate Openeye Name: (4-nitrophenyl) N-[6-(benzyloxycarbonylamino)hexyl]carbamate CAS Name: N-[6-[[(4-nitrophenoxy)-oxomethyl]amino]hexyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[6-[(4-nitrophenoxy)carbonylamino]hexyl]carbamate Traditional Name: N-[6-(benzyloxycarbonylamino)hexyl]carbamic acid (4-nitrophenyl) ester Formula: C21H25N3O6 MolecularWeight: 415.4397

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCCCCNC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCCCCNC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6/c25-20(29-16-17-8-4-3-5-9-17)22-14-6-1-2-7-15-23-21(26)30-19-12-10-18(11-13-19)24(27)28/h3-5,8-13H,1-2,6-7,14-16H2,(H,22,25)(H,23,26)