bis[8-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonyloxyoctyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: bis[8-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonyloxyoctyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: bis[8-[4-(tert-butoxycarbonylamino)benzoyl]oxyoctyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid bis[8-[[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-oxomethoxy]octyl] ester IUPAC Name: bis[8-[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]oxyoctyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid bis[8-[4-(tert-butoxycarbonylamino)benzoyl]oxyoctyl] ester Formula: C48H63N3O14 MolecularWeight: 906.02552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)OCCCCCCCCOC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCCCCCCCCOC(=O)C3=CC=C(C=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)OCCCCCCCCOC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCCCCCCCCOC(=O)C3=CC=C(C=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C48H63N3O14/c1-47(2,3)64-45(56)49-38-23-19-34(20-24-38)41(52)60-27-15-11-7-9-13-17-29-62-43(54)36-31-37(33-40(32-36)51(58)59)44(55)63-30-18-14-10-8-12-16-28-61-42(53)35-21-25-39(26-22-35)50-46(57)65-48(4,5)6/h19-26,31-33H,7-18,27-30H2,1-6H3,(H,49,56)(H,50,57)