[4-[11-(2-methylprop-2-enoyloxy)undecoxy]phenyl] 4-(2-azanyl-5-nitro-4-octoxy-phenyl)benzoate

Systemtic Name: [4-[11-(2-methylprop-2-enoyloxy)undecoxy]phenyl] 4-(2-azanyl-5-nitro-4-octoxy-phenyl)benzoate Openeye Name: [4-[11-(2-methylprop-2-enoyloxy)undecoxy]phenyl] 4-(2-amino-5-nitro-4-octoxy-phenyl)benzoate CAS Name: 4-(2-amino-5-nitro-4-octoxyphenyl)benzoic acid [4-[11-(2-methyl-1-oxoprop-2-enoxy)undecoxy]phenyl] ester IUPAC Name: [4-[11-(2-methylprop-2-enoyloxy)undecoxy]phenyl] 4-(2-amino-5-nitro-4-octoxyphenyl)benzoate Traditional Name: 4-(2-amino-5-nitro-4-octoxy-phenyl)benzoic acid [4-(11-methacryloyloxyundecoxy)phenyl] ester Formula: C42H56N2O8 MolecularWeight: 716.90264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C(=C1)N)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCCCCCCCCOC(=O)C(=C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C(=C1)N)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCCCCCCCCOC(=O)C(=C)C)[N+](=O)[O-]

InChI

InChI=1S/C42H56N2O8/c1-4-5-6-7-13-17-28-50-40-31-38(43)37(30-39(40)44(47)48)33-19-21-34(22-20-33)42(46)52-36-25-23-35(24-26-36)49-27-16-14-11-9-8-10-12-15-18-29-51-41(45)32(2)3/h19-26,30-31H,2,4-18,27-29,43H2,1,3H3