[1-(1,3-benzodioxol-2-yl)-6-cyano-7-methyl-2-nitro-6-(3,4,5-trimethoxyphenyl)nonan-3-yl] ethanoate

Systemtic Name: [1-(1,3-benzodioxol-2-yl)-6-cyano-7-methyl-2-nitro-6-(3,4,5-trimethoxyphenyl)nonan-3-yl] ethanoate Openeye Name: [1-[2-(1,3-benzodioxol-2-yl)-1-nitro-ethyl]-4-cyano-5-methyl-4-(3,4,5-trimethoxyphenyl)heptyl] acetate CAS Name: acetic acid [1-(1,3-benzodioxol-2-yl)-6-cyano-7-methyl-2-nitro-6-(3,4,5-trimethoxyphenyl)nonan-3-yl] ester IUPAC Name: [1-(1,3-benzodioxol-2-yl)-6-cyano-7-methyl-2-nitro-6-(3,4,5-trimethoxyphenyl)nonan-3-yl] acetate Traditional Name: acetic acid [1-[2-(1,3-benzodioxol-2-yl)-1-nitro-ethyl]-4-cyano-5-methyl-4-(3,4,5-trimethoxyphenyl)heptyl] ester Formula: C29H36N2O9 MolecularWeight: 556.60414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36N2O9/c1-7-18(2)29(17-30,20-14-25(35-4)28(37-6)26(15-20)36-5)13-12-22(38-19(3)32)21(31(33)34)16-27-39-23-10-8-9-11-24(23)40-27/h8-11,14-15,18,21-22,27H,7,12-13,16H2,1-6H3