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

Systemtic Name: 7-(3,4-dimethoxyphenyl)-6-nitro-5-oxidanyl-2-propan-2-yl-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile Openeye Name: 7-(3,4-dimethoxyphenyl)-5-hydroxy-2-isopropyl-6-nitro-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile CAS Name: 7-(3,4-dimethoxyphenyl)-5-hydroxy-6-nitro-2-propan-2-yl-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile IUPAC Name: 7-(3,4-dimethoxyphenyl)-5-hydroxy-6-nitro-2-propan-2-yl-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile Traditional Name: 7-(3,4-dimethoxyphenyl)-5-hydroxy-2-isopropyl-6-nitro-2-(2,3,4,5-tetramethoxyphenyl)enanthonitrile Formula: C28H38N2O9 MolecularWeight: 546.60932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(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

CC(C)C(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/C28H38N2O9/c1-17(2)28(16-29,19-15-24(36-5)26(38-7)27(39-8)25(19)37-6)12-11-21(31)20(30(32)33)13-18-9-10-22(34-3)23(14-18)35-4/h9-10,14-15,17,20-21,31H,11-13H2,1-8H3