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

Systemtic Name: [4-(11-prop-2-enoyloxyundecoxy)phenyl] 4-(2-azanyl-5-nitro-4-octoxy-phenyl)benzoate Openeye Name: [4-(11-prop-2-enoyloxyundecoxy)phenyl] 4-(2-amino-5-nitro-4-octoxy-phenyl)benzoate CAS Name: 4-(2-amino-5-nitro-4-octoxyphenyl)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-octoxyphenyl)benzoate Traditional Name: 4-(2-amino-5-nitro-4-octoxy-phenyl)benzoic acid [4-(11-acryloyloxyundecoxy)phenyl] ester Formula: C41H54N2O8 MolecularWeight: 702.87606

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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)[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)[N+](=O)[O-]

InChI

InChI=1S/C41H54N2O8/c1-3-5-6-7-13-17-28-49-39-31-37(42)36(30-38(39)43(46)47)32-19-21-33(22-20-32)41(45)51-35-25-23-34(24-26-35)48-27-16-14-11-9-8-10-12-15-18-29-50-40(44)4-2/h4,19-26,30-31H,2-3,5-18,27-29,42H2,1H3