[4-nitro-2-(octadecylcarbamoyloxy)phenyl] N-octadecylcarbamate

Systemtic Name: [4-nitro-2-(octadecylcarbamoyloxy)phenyl] N-octadecylcarbamate Openeye Name: [4-nitro-2-(octadecylcarbamoyloxy)phenyl] N-octadecylcarbamate CAS Name: N-octadecylcarbamic acid [4-nitro-2-[(octadecylamino)-oxomethoxy]phenyl] ester IUPAC Name: [4-nitro-2-(octadecylcarbamoyloxy)phenyl] N-octadecylcarbamate Traditional Name: N-stearylcarbamic acid [4-nitro-2-(stearylcarbamoyloxy)phenyl] ester Formula: C44H79N3O6 MolecularWeight: 746.11456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OC1=C(C=C(C=C1)[N+](=O)[O-])OC(=O)NCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OC1=C(C=C(C=C1)[N+](=O)[O-])OC(=O)NCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C44H79N3O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-45-43(48)52-41-36-35-40(47(50)51)39-42(41)53-44(49)46-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36,39H,3-34,37-38H2,1-2H3,(H,45,48)(H,46,49)