[4-(4-nonoxyphenyl)phenyl] 4-[2-azanyl-5-nitro-4-[(2R)-octan-2-yl]oxy-phenyl]benzoate

Systemtic Name: [4-(4-nonoxyphenyl)phenyl] 4-[2-azanyl-5-nitro-4-[(2R)-octan-2-yl]oxy-phenyl]benzoate Openeye Name: [4-(4-nonoxyphenyl)phenyl] 4-[2-amino-4-[(1R)-1-methylheptoxy]-5-nitro-phenyl]benzoate CAS Name: 4-[2-amino-5-nitro-4-[(2R)-octan-2-yl]oxyphenyl]benzoic acid [4-(4-nonoxyphenyl)phenyl] ester IUPAC Name: [4-(4-nonoxyphenyl)phenyl] 4-[2-amino-5-nitro-4-[(2R)-octan-2-yl]oxyphenyl]benzoate Traditional Name: 4-[2-amino-4-[(1R)-1-methylheptoxy]-5-nitro-phenyl]benzoic acid [4-(4-nonoxyphenyl)phenyl] ester Formula: C42H52N2O6 MolecularWeight: 680.87208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C4=CC(=C(C=C4N)OC(C)CCCCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C4=CC(=C(C=C4N)O[C@H](C)CCCCCC)[N+](=O)[O-]

InChI

InChI=1S/C42H52N2O6/c1-4-6-8-10-11-12-14-28-48-36-24-20-32(21-25-36)33-22-26-37(27-23-33)50-42(45)35-18-16-34(17-19-35)38-29-40(44(46)47)41(30-39(38)43)49-31(3)15-13-9-7-5-2/h16-27,29-31H,4-15,28,43H2,1-3H3/t31-/m1/s1