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

Systemtic Name: [4-(4-nonoxyphenyl)phenyl] 2-azanyl-5-nitro-4-[(2R)-octan-2-yl]oxy-benzoate Openeye Name: [4-(4-nonoxyphenyl)phenyl] 2-amino-4-[(1R)-1-methylheptoxy]-5-nitro-benzoate CAS Name: 2-amino-5-nitro-4-[(2R)-octan-2-yl]oxybenzoic acid [4-(4-nonoxyphenyl)phenyl] ester IUPAC Name: [4-(4-nonoxyphenyl)phenyl] 2-amino-5-nitro-4-[(2R)-octan-2-yl]oxybenzoate Traditional Name: 2-amino-4-[(1R)-1-methylheptoxy]-5-nitro-benzoic acid [4-(4-nonoxyphenyl)phenyl] ester Formula: C36H48N2O6 MolecularWeight: 604.77612

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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=C3N)OC(C)CCCCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3N)O[C@H](C)CCCCCC)[N+](=O)[O-]

InChI

InChI=1S/C36H48N2O6/c1-4-6-8-10-11-12-14-24-42-30-20-16-28(17-21-30)29-18-22-31(23-19-29)44-36(39)32-25-34(38(40)41)35(26-33(32)37)43-27(3)15-13-9-7-5-2/h16-23,25-27H,4-15,24,37H2,1-3H3/t27-/m1/s1