(4-nitrophenyl)methyl N-[20-[(3-nitrophenyl)methoxycarbonylamino]-10,11-dioctyl-icosyl]carbamate

Systemtic Name: (4-nitrophenyl)methyl N-[20-[(3-nitrophenyl)methoxycarbonylamino]-10,11-dioctyl-icosyl]carbamate Openeye Name: (4-nitrophenyl)methyl N-[20-[(3-nitrophenyl)methoxycarbonylamino]-10,11-dioctyl-icosyl]carbamate CAS Name: N-[20-[[(3-nitrophenyl)methoxy-oxomethyl]amino]-10,11-dioctyleicosyl]carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-[20-[(3-nitrophenyl)methoxycarbonylamino]-10,11-dioctylicosyl]carbamate Traditional Name: N-[20-[(3-nitrobenzyl)oxycarbonylamino]-10,11-dioctyl-eicosyl]carbamic acid (4-nitrobenzyl) ester Formula: C52H86N4O8 MolecularWeight: 895.26124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCCCNC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])C(CCCCCCCC)CCCCCCCCCNC(=O)OCC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCC(CCCCCCCCCNC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])C(CCCCCCCC)CCCCCCCCCNC(=O)OCC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C52H86N4O8/c1-3-5-7-9-17-23-31-47(33-25-19-13-11-15-21-27-40-53-51(57)63-43-45-36-38-49(39-37-45)55(59)60)48(32-24-18-10-8-6-4-2)34-26-20-14-12-16-22-28-41-54-52(58)64-44-46-30-29-35-50(42-46)56(61)62/h29-30,35-39,42,47-48H,3-28,31-34,40-41,43-44H2,1-2H3,(H,53,57)(H,54,58)