2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-nitro-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-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)-6-nitro-heptanenitrile CAS Name: 2-(2,5-diethoxy-3,4-dimethoxyphenyl)-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-nitro-2-pentan-3-ylheptanenitrile IUPAC Name: 2-(2,5-diethoxy-3,4-dimethoxyphenyl)-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-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)-6-nitro-enanthonitrile Formula: C32H44N2O8 MolecularWeight: 584.70036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H44N2O8/c1-7-22(8-2)32(21-33,25-19-28(39-9-3)30(37-5)31(38-6)29(25)40-10-4)17-13-14-23(34(35)36)18-24-20-41-26-15-11-12-16-27(26)42-24/h11-12,15-16,19,22-24H,7-10,13-14,17-18,20H2,1-6H3