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

Systemtic Name: [4-[2-(4-pentylcyclohexyl)ethyl]phenyl] 2-azanyl-5-nitro-4-octoxy-benzoate Openeye Name: [4-[2-(4-pentylcyclohexyl)ethyl]phenyl] 2-amino-5-nitro-4-octoxy-benzoate CAS Name: 2-amino-5-nitro-4-octoxybenzoic acid [4-[2-(4-pentylcyclohexyl)ethyl]phenyl] ester IUPAC Name: [4-[2-(4-pentylcyclohexyl)ethyl]phenyl] 2-amino-5-nitro-4-octoxybenzoate Traditional Name: 2-amino-5-nitro-4-octoxy-benzoic acid [4-[2-(4-amylcyclohexyl)ethyl]phenyl] ester Formula: C34H50N2O5 MolecularWeight: 566.7712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C(=C1)N)C(=O)OC2=CC=C(C=C2)CCC3CCC(CC3)CCCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C(=C1)N)C(=O)OC2=CC=C(C=C2)CCC3CCC(CC3)CCCCC)[N+](=O)[O-]

InChI

InChI=1S/C34H50N2O5/c1-3-5-7-8-9-11-23-40-33-25-31(35)30(24-32(33)36(38)39)34(37)41-29-21-19-28(20-22-29)18-17-27-15-13-26(14-16-27)12-10-6-4-2/h19-22,24-27H,3-18,23,35H2,1-2H3