[1-(1,3-benzodioxol-2-yl)-6-cyano-6-(3,4-dimethoxyphenyl)-7-methyl-2-nitro-octan-3-yl] ethanoate

Systemtic Name: [1-(1,3-benzodioxol-2-yl)-6-cyano-6-(3,4-dimethoxyphenyl)-7-methyl-2-nitro-octan-3-yl] ethanoate Openeye Name: [1-[2-(1,3-benzodioxol-2-yl)-1-nitro-ethyl]-4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl] acetate CAS Name: acetic acid [1-(1,3-benzodioxol-2-yl)-6-cyano-6-(3,4-dimethoxyphenyl)-7-methyl-2-nitrooctan-3-yl] ester IUPAC Name: [1-(1,3-benzodioxol-2-yl)-6-cyano-6-(3,4-dimethoxyphenyl)-7-methyl-2-nitrooctan-3-yl] acetate Traditional Name: acetic acid [1-[2-(1,3-benzodioxol-2-yl)-1-nitro-ethyl]-4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl] ester Formula: C27H32N2O8 MolecularWeight: 512.55158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O8/c1-17(2)27(16-28,19-10-11-22(33-4)25(14-19)34-5)13-12-21(35-18(3)30)20(29(31)32)15-26-36-23-8-6-7-9-24(23)37-26/h6-11,14,17,20-21,26H,12-13,15H2,1-5H3