2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-ethyl-6-nitro-heptanenitrile

Systemtic Name: 2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-ethyl-6-nitro-heptanenitrile Openeye Name: 2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-ethyl-6-nitro-heptanenitrile CAS Name: 2-(2,5-diethoxy-3,4-dimethoxyphenyl)-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-ethyl-6-nitroheptanenitrile IUPAC Name: 2-(2,5-diethoxy-3,4-dimethoxyphenyl)-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-ethyl-6-nitroheptanenitrile Traditional Name: 2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-ethyl-6-nitro-enanthonitrile Formula: C29H38N2O8 MolecularWeight: 542.62062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCC(CC1COC2=CC=CC=C2O1)[N+](=O)[O-])(C#N)C3=CC(=C(C(=C3OCC)OC)OC)OCC

Isomeric SMILES

CCC(CCCC(CC1COC2=CC=CC=C2O1)[N+](=O)[O-])(C#N)C3=CC(=C(C(=C3OCC)OC)OC)OCC

InChI

InChI=1S/C29H38N2O8/c1-6-29(19-30,22-17-25(36-7-2)27(34-4)28(35-5)26(22)37-8-3)15-11-12-20(31(32)33)16-21-18-38-23-13-9-10-14-24(23)39-21/h9-10,13-14,17,20-21H,6-8,11-12,15-16,18H2,1-5H3