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

Systemtic Name: 2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-7-(3,4-dimethoxyphenyl)-2-ethyl-6-nitro-5-oxidanyl-heptanenitrile Openeye Name: 2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-7-(3,4-dimethoxyphenyl)-2-ethyl-5-hydroxy-6-nitro-heptanenitrile CAS Name: 2-(2,5-diethoxy-3,4-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-2-ethyl-5-hydroxy-6-nitroheptanenitrile IUPAC Name: 2-(2,5-diethoxy-3,4-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-2-ethyl-5-hydroxy-6-nitroheptanenitrile Traditional Name: 2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-7-(3,4-dimethoxyphenyl)-2-ethyl-5-hydroxy-6-nitro-enanthonitrile Formula: C29H40N2O9 MolecularWeight: 560.6359

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N2O9/c1-8-29(18-30,20-17-25(39-9-2)27(37-6)28(38-7)26(20)40-10-3)14-13-22(32)21(31(33)34)15-19-11-12-23(35-4)24(16-19)36-5/h11-12,16-17,21-22,32H,8-10,13-15H2,1-7H3