[4-(1-hydroxyethyloxy)phenyl] 4-(2-azanyl-5-nitro-4-octoxy-phenyl)benzoate

Systemtic Name: [4-(1-hydroxyethyloxy)phenyl] 4-(2-azanyl-5-nitro-4-octoxy-phenyl)benzoate Openeye Name: [4-(1-hydroxyethoxy)phenyl] 4-(2-amino-5-nitro-4-octoxy-phenyl)benzoate CAS Name: 4-(2-amino-5-nitro-4-octoxyphenyl)benzoic acid [4-(1-hydroxyethoxy)phenyl] ester IUPAC Name: [4-(1-hydroxyethoxy)phenyl] 4-(2-amino-5-nitro-4-octoxyphenyl)benzoate Traditional Name: 4-(2-amino-5-nitro-4-octoxy-phenyl)benzoic acid [4-(1-hydroxyethoxy)phenyl] ester Formula: C29H34N2O7 MolecularWeight: 522.58946

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N2O7/c1-3-4-5-6-7-8-17-36-28-19-26(30)25(18-27(28)31(34)35)21-9-11-22(12-10-21)29(33)38-24-15-13-23(14-16-24)37-20(2)32/h9-16,18-20,32H,3-8,17,30H2,1-2H3