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

Systemtic Name: [4-(4-pentylphenyl)phenyl] 2-azanyl-5-nitro-4-[(2R)-octan-2-yl]oxy-benzoate Openeye Name: [4-(4-pentylphenyl)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-pentylphenyl)phenyl] ester IUPAC Name: [4-(4-pentylphenyl)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-amylphenyl)phenyl] ester Formula: C32H40N2O5 MolecularWeight: 532.6704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C=C(C(=C1)N)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)CCCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCC[C@@H](C)OC1=C(C=C(C(=C1)N)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)CCCCC)[N+](=O)[O-]

InChI

InChI=1S/C32H40N2O5/c1-4-6-8-10-11-23(3)38-31-22-29(33)28(21-30(31)34(36)37)32(35)39-27-19-17-26(18-20-27)25-15-13-24(14-16-25)12-9-7-5-2/h13-23H,4-12,33H2,1-3H3/t23-/m1/s1