[1-(1,3-benzodioxol-2-yl)-6-cyano-6-(2,5-diethoxy-3,4-dimethoxy-phenyl)-7-ethyl-2-nitro-nonan-3-yl] ethanoate

Systemtic Name: [1-(1,3-benzodioxol-2-yl)-6-cyano-6-(2,5-diethoxy-3,4-dimethoxy-phenyl)-7-ethyl-2-nitro-nonan-3-yl] ethanoate Openeye Name: [1-[2-(1,3-benzodioxol-2-yl)-1-nitro-ethyl]-4-cyano-4-(2,5-diethoxy-3,4-dimethoxy-phenyl)-5-ethyl-heptyl] acetate CAS Name: acetic acid [1-(1,3-benzodioxol-2-yl)-6-cyano-6-(2,5-diethoxy-3,4-dimethoxyphenyl)-7-ethyl-2-nitrononan-3-yl] ester IUPAC Name: [1-(1,3-benzodioxol-2-yl)-6-cyano-6-(2,5-diethoxy-3,4-dimethoxyphenyl)-7-ethyl-2-nitrononan-3-yl] acetate Traditional Name: acetic acid [1-[2-(1,3-benzodioxol-2-yl)-1-nitro-ethyl]-4-cyano-4-(2,5-diethoxy-3,4-dimethoxy-phenyl)-5-ethyl-heptyl] ester Formula: C33H44N2O10 MolecularWeight: 628.70986

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CCC(C(CC1OC2=CC=CC=C2O1)[N+](=O)[O-])OC(=O)C)(C#N)C3=CC(=C(C(=C3OCC)OC)OC)OCC

Isomeric SMILES

CCC(CC)C(CCC(C(CC1OC2=CC=CC=C2O1)[N+](=O)[O-])OC(=O)C)(C#N)C3=CC(=C(C(=C3OCC)OC)OC)OCC

InChI

InChI=1S/C33H44N2O10/c1-8-22(9-2)33(20-34,23-18-28(41-10-3)31(39-6)32(40-7)30(23)42-11-4)17-16-25(43-21(5)36)24(35(37)38)19-29-44-26-14-12-13-15-27(26)45-29/h12-15,18,22,24-25,29H,8-11,16-17,19H2,1-7H3