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

Systemtic Name: 2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-nitro-5-oxidanyl-2-pentan-3-yl-heptanenitrile Openeye Name: 2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1-ethylpropyl)-5-hydroxy-6-nitro-heptanenitrile CAS Name: 2-(2,5-diethoxy-3,4-dimethoxyphenyl)-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-hydroxy-6-nitro-2-pentan-3-ylheptanenitrile IUPAC Name: 2-(2,5-diethoxy-3,4-dimethoxyphenyl)-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-hydroxy-6-nitro-2-pentan-3-ylheptanenitrile Traditional Name: 2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1-ethylpropyl)-5-hydroxy-6-nitro-enanthonitrile Formula: C32H44N2O9 MolecularWeight: 600.69976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H44N2O9/c1-7-21(8-2)32(20-33,23-18-28(40-9-3)30(38-5)31(39-6)29(23)41-10-4)16-15-25(35)24(34(36)37)17-22-19-42-26-13-11-12-14-27(26)43-22/h11-14,18,21-22,24-25,35H,7-10,15-17,19H2,1-6H3