2-butan-2-yl-2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-7-(3,4-dimethoxyphenyl)-6-nitro-heptanenitrile

Systemtic Name: 2-butan-2-yl-2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-7-(3,4-dimethoxyphenyl)-6-nitro-heptanenitrile Openeye Name: 2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-7-(3,4-dimethoxyphenyl)-6-nitro-2-sec-butyl-heptanenitrile CAS Name: 2-butan-2-yl-2-(2,5-diethoxy-3,4-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-6-nitroheptanenitrile IUPAC Name: 2-butan-2-yl-2-(2,5-diethoxy-3,4-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-6-nitroheptanenitrile Traditional Name: 2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-7-(3,4-dimethoxyphenyl)-6-nitro-2-sec-butyl-enanthonitrile Formula: C31H44N2O8 MolecularWeight: 572.68966

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CCCC(CC1=CC(=C(C=C1)OC)OC)[N+](=O)[O-])(C#N)C2=CC(=C(C(=C2OCC)OC)OC)OCC

Isomeric SMILES

CCC(C)C(CCCC(CC1=CC(=C(C=C1)OC)OC)[N+](=O)[O-])(C#N)C2=CC(=C(C(=C2OCC)OC)OC)OCC

InChI

InChI=1S/C31H44N2O8/c1-9-21(4)31(20-32,24-19-27(40-10-2)29(38-7)30(39-8)28(24)41-11-3)16-12-13-23(33(34)35)17-22-14-15-25(36-5)26(18-22)37-6/h14-15,18-19,21,23H,9-13,16-17H2,1-8H3