[4-[11-[(E)-2-phenylethenoxy]undecoxy]phenyl] 4-(2-azanyl-5-nitro-4-octoxy-phenyl)benzoate

Systemtic Name: [4-[11-[(E)-2-phenylethenoxy]undecoxy]phenyl] 4-(2-azanyl-5-nitro-4-octoxy-phenyl)benzoate Openeye Name: [4-[11-[(E)-styryl]oxyundecoxy]phenyl] 4-(2-amino-5-nitro-4-octoxy-phenyl)benzoate CAS Name: 4-(2-amino-5-nitro-4-octoxyphenyl)benzoic acid [4-[11-[(E)-2-phenylethenoxy]undecoxy]phenyl] ester IUPAC Name: [4-[11-[(E)-2-phenylethenoxy]undecoxy]phenyl] 4-(2-amino-5-nitro-4-octoxyphenyl)benzoate Traditional Name: 4-(2-amino-5-nitro-4-octoxy-phenyl)benzoic acid [4-[11-[(E)-styryl]oxyundecoxy]phenyl] ester Formula: C46H58N2O7 MolecularWeight: 750.96192

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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=CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C(=C1)N)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCCCCCCCCO/C=C/C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C46H58N2O7/c1-2-3-4-5-12-19-33-54-45-36-43(47)42(35-44(45)48(50)51)38-22-24-39(25-23-38)46(49)55-41-28-26-40(27-29-41)53-32-18-13-10-8-6-7-9-11-17-31-52-34-30-37-20-15-14-16-21-37/h14-16,20-30,34-36H,2-13,17-19,31-33,47H2,1H3/b34-30+