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

Systemtic Name: [4-(4-octoxyphenyl)phenyl] 4-azanyl-5-nitro-2-octoxy-benzoate Openeye Name: [4-(4-octoxyphenyl)phenyl] 4-amino-5-nitro-2-octoxy-benzoate CAS Name: 4-amino-5-nitro-2-octoxybenzoic acid [4-(4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(4-octoxyphenyl)phenyl] 4-amino-5-nitro-2-octoxybenzoate Traditional Name: 4-amino-5-nitro-2-octoxy-benzoic acid [4-(4-octoxyphenyl)phenyl] ester Formula: C35H46N2O6 MolecularWeight: 590.74954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3OCCCCCCCC)N)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3OCCCCCCCC)N)[N+](=O)[O-]

InChI

InChI=1S/C35H46N2O6/c1-3-5-7-9-11-13-23-41-29-19-15-27(16-20-29)28-17-21-30(22-18-28)43-35(38)31-25-33(37(39)40)32(36)26-34(31)42-24-14-12-10-8-6-4-2/h15-22,25-26H,3-14,23-24,36H2,1-2H3