7-(3,4-dimethoxyphenyl)-2-ethyl-6-nitro-5-oxidanyl-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile

Systemtic Name: 7-(3,4-dimethoxyphenyl)-2-ethyl-6-nitro-5-oxidanyl-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile Openeye Name: 7-(3,4-dimethoxyphenyl)-2-ethyl-5-hydroxy-6-nitro-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile CAS Name: 7-(3,4-dimethoxyphenyl)-2-ethyl-5-hydroxy-6-nitro-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile IUPAC Name: 7-(3,4-dimethoxyphenyl)-2-ethyl-5-hydroxy-6-nitro-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile Traditional Name: 7-(3,4-dimethoxyphenyl)-2-ethyl-5-hydroxy-6-nitro-2-(2,3,4,5-tetramethoxyphenyl)enanthonitrile Formula: C27H36N2O9 MolecularWeight: 532.58274

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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(=C2OC)OC)OC)OC

Isomeric SMILES

CCC(CCC(C(CC1=CC(=C(C=C1)OC)OC)[N+](=O)[O-])O)(C#N)C2=CC(=C(C(=C2OC)OC)OC)OC

InChI

InChI=1S/C27H36N2O9/c1-8-27(16-28,18-15-23(35-4)25(37-6)26(38-7)24(18)36-5)12-11-20(30)19(29(31)32)13-17-9-10-21(33-2)22(14-17)34-3/h9-10,14-15,19-20,30H,8,11-13H2,1-7H3