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

Systemtic Name: 2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-ethyl-6-nitro-5-oxidanyl-heptanenitrile Openeye Name: 2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-ethyl-5-hydroxy-6-nitro-heptanenitrile CAS Name: 2-(2,5-diethoxy-3,4-dimethoxyphenyl)-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-ethyl-5-hydroxy-6-nitroheptanenitrile IUPAC Name: 2-(2,5-diethoxy-3,4-dimethoxyphenyl)-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-ethyl-5-hydroxy-6-nitroheptanenitrile Traditional Name: 2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-ethyl-5-hydroxy-6-nitro-enanthonitrile Formula: C29H38N2O9 MolecularWeight: 558.62002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38N2O9/c1-6-29(18-30,20-16-25(37-7-2)27(35-4)28(36-5)26(20)38-8-3)14-13-22(32)21(31(33)34)15-19-17-39-23-11-9-10-12-24(23)40-19/h9-12,16,19,21-22,32H,6-8,13-15,17H2,1-5H3