[4-(11-prop-2-enoyloxyundecoxy)phenyl] 4-(2-azanyl-5-nitro-4-octan-2-yloxy-phenyl)benzoate

Systemtic Name: [4-(11-prop-2-enoyloxyundecoxy)phenyl] 4-(2-azanyl-5-nitro-4-octan-2-yloxy-phenyl)benzoate Openeye Name: [4-(11-prop-2-enoyloxyundecoxy)phenyl] 4-[2-amino-4-(1-methylheptoxy)-5-nitro-phenyl]benzoate CAS Name: 4-(2-amino-5-nitro-4-octan-2-yloxyphenyl)benzoic acid [4-[11-(1-oxoprop-2-enoxy)undecoxy]phenyl] ester IUPAC Name: [4-(11-prop-2-enoyloxyundecoxy)phenyl] 4-(2-amino-5-nitro-4-octan-2-yloxyphenyl)benzoate Traditional Name: 4-[2-amino-4-(1-methylheptoxy)-5-nitro-phenyl]benzoic acid [4-(11-acryloyloxyundecoxy)phenyl] ester Formula: C41H54N2O8 MolecularWeight: 702.87606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C=C(C(=C1)N)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCCCCCCCCOC(=O)C=C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(C)OC1=C(C=C(C(=C1)N)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCCCCCCCCOC(=O)C=C)[N+](=O)[O-]

InChI

InChI=1S/C41H54N2O8/c1-4-6-7-15-18-31(3)50-39-30-37(42)36(29-38(39)43(46)47)32-19-21-33(22-20-32)41(45)51-35-25-23-34(24-26-35)48-27-16-13-11-9-8-10-12-14-17-28-49-40(44)5-2/h5,19-26,29-31H,2,4,6-18,27-28,42H2,1,3H3