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

Systemtic Name: 7-(1,3-benzodioxol-2-yl)-2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-2-ethyl-6-nitro-heptanenitrile Openeye Name: 7-(1,3-benzodioxol-2-yl)-2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-2-ethyl-6-nitro-heptanenitrile CAS Name: 7-(1,3-benzodioxol-2-yl)-2-(2,5-diethoxy-3,4-dimethoxyphenyl)-2-ethyl-6-nitroheptanenitrile IUPAC Name: 7-(1,3-benzodioxol-2-yl)-2-(2,5-diethoxy-3,4-dimethoxyphenyl)-2-ethyl-6-nitroheptanenitrile Traditional Name: 7-(1,3-benzodioxol-2-yl)-2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-2-ethyl-6-nitro-enanthonitrile Formula: C28H36N2O8 MolecularWeight: 528.59404

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCC(CC1OC2=CC=CC=C2O1)[N+](=O)[O-])(C#N)C3=CC(=C(C(=C3OCC)OC)OC)OCC

Isomeric SMILES

CCC(CCCC(CC1OC2=CC=CC=C2O1)[N+](=O)[O-])(C#N)C3=CC(=C(C(=C3OCC)OC)OC)OCC

InChI

InChI=1S/C28H36N2O8/c1-6-28(18-29,20-17-23(35-7-2)26(33-4)27(34-5)25(20)36-8-3)15-11-12-19(30(31)32)16-24-37-21-13-9-10-14-22(21)38-24/h9-10,13-14,17,19,24H,6-8,11-12,15-16H2,1-5H3