[1-(1,3-benzodioxol-2-yl)-6-cyano-6-(3,4-dimethoxy-2,5-dipentoxy-phenyl)-2-nitro-octan-3-yl] ethanoate

Systemtic Name: [1-(1,3-benzodioxol-2-yl)-6-cyano-6-(3,4-dimethoxy-2,5-dipentoxy-phenyl)-2-nitro-octan-3-yl] ethanoate Openeye Name: [1-[2-(1,3-benzodioxol-2-yl)-1-nitro-ethyl]-4-cyano-4-(3,4-dimethoxy-2,5-dipentoxy-phenyl)hexyl] acetate CAS Name: acetic acid [1-(1,3-benzodioxol-2-yl)-6-cyano-6-(3,4-dimethoxy-2,5-dipentoxyphenyl)-2-nitrooctan-3-yl] ester IUPAC Name: [1-(1,3-benzodioxol-2-yl)-6-cyano-6-(3,4-dimethoxy-2,5-dipentoxyphenyl)-2-nitrooctan-3-yl] acetate Traditional Name: acetic acid [1-[2-(1,3-benzodioxol-2-yl)-1-nitro-ethyl]-4-cyano-4-(2,5-diamoxy-3,4-dimethoxy-phenyl)hexyl] ester Formula: C36H50N2O10 MolecularWeight: 670.7896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C(=C(C(=C1)C(CC)(CCC(C(CC2OC3=CC=CC=C3O2)[N+](=O)[O-])OC(=O)C)C#N)OCCCCC)OC)OC

Isomeric SMILES

CCCCCOC1=C(C(=C(C(=C1)C(CC)(CCC(C(CC2OC3=CC=CC=C3O2)[N+](=O)[O-])OC(=O)C)C#N)OCCCCC)OC)OC

InChI

InChI=1S/C36H50N2O10/c1-7-10-14-20-44-31-22-26(33(45-21-15-11-8-2)35(43-6)34(31)42-5)36(9-3,24-37)19-18-28(46-25(4)39)27(38(40)41)23-32-47-29-16-12-13-17-30(29)48-32/h12-13,16-17,22,27-28,32H,7-11,14-15,18-21,23H2,1-6H3