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

Systemtic Name: [1-(1,3-benzodioxol-2-yl)-6-cyano-6-(2,5-diethoxy-3,4-dimethoxy-phenyl)-2-nitro-heptan-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)pentyl] acetate CAS Name: acetic acid [1-(1,3-benzodioxol-2-yl)-6-cyano-6-(2,5-diethoxy-3,4-dimethoxyphenyl)-2-nitroheptan-3-yl] ester IUPAC Name: [1-(1,3-benzodioxol-2-yl)-6-cyano-6-(2,5-diethoxy-3,4-dimethoxyphenyl)-2-nitroheptan-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)pentyl] ester Formula: C29H36N2O10 MolecularWeight: 572.60354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C(=C1)C(C)(CCC(C(CC2OC3=CC=CC=C3O2)[N+](=O)[O-])OC(=O)C)C#N)OCC)OC)OC

Isomeric SMILES

CCOC1=C(C(=C(C(=C1)C(C)(CCC(C(CC2OC3=CC=CC=C3O2)[N+](=O)[O-])OC(=O)C)C#N)OCC)OC)OC

InChI

InChI=1S/C29H36N2O10/c1-7-37-24-15-19(26(38-8-2)28(36-6)27(24)35-5)29(4,17-30)14-13-21(39-18(3)32)20(31(33)34)16-25-40-22-11-9-10-12-23(22)41-25/h9-12,15,20-21,25H,7-8,13-14,16H2,1-6H3