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

Systemtic Name: [4-(11-ethenoxyundecoxy)phenyl] 4-(2-azanyl-5-nitro-4-octoxy-phenyl)benzoate Openeye Name: [4-(11-vinyloxyundecoxy)phenyl] 4-(2-amino-5-nitro-4-octoxy-phenyl)benzoate CAS Name: 4-(2-amino-5-nitro-4-octoxyphenyl)benzoic acid [4-(11-ethenoxyundecoxy)phenyl] ester IUPAC Name: [4-(11-ethenoxyundecoxy)phenyl] 4-(2-amino-5-nitro-4-octoxyphenyl)benzoate Traditional Name: 4-(2-amino-5-nitro-4-octoxy-phenyl)benzoic acid [4-(11-vinyloxyundecoxy)phenyl] ester Formula: C40H54N2O7 MolecularWeight: 674.86596

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

InChI

InChI=1S/C40H54N2O7/c1-3-5-6-7-14-18-29-48-39-31-37(41)36(30-38(39)42(44)45)32-19-21-33(22-20-32)40(43)49-35-25-23-34(24-26-35)47-28-17-15-12-10-8-9-11-13-16-27-46-4-2/h4,19-26,30-31H,2-3,5-18,27-29,41H2,1H3