7-(1,3-benzodioxol-2-yl)-6-nitro-5-oxidanyl-2-pentan-3-yl-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile

Systemtic Name: 7-(1,3-benzodioxol-2-yl)-6-nitro-5-oxidanyl-2-pentan-3-yl-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile Openeye Name: 7-(1,3-benzodioxol-2-yl)-2-(1-ethylpropyl)-5-hydroxy-6-nitro-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile CAS Name: 7-(1,3-benzodioxol-2-yl)-5-hydroxy-6-nitro-2-pentan-3-yl-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile IUPAC Name: 7-(1,3-benzodioxol-2-yl)-5-hydroxy-6-nitro-2-pentan-3-yl-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile Traditional Name: 7-(1,3-benzodioxol-2-yl)-2-(1-ethylpropyl)-5-hydroxy-6-nitro-2-(2,3,4,5-tetramethoxyphenyl)enanthonitrile Formula: C29H38N2O9 MolecularWeight: 558.62002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CCC(C(CC1OC2=CC=CC=C2O1)[N+](=O)[O-])O)(C#N)C3=CC(=C(C(=C3OC)OC)OC)OC

Isomeric SMILES

CCC(CC)C(CCC(C(CC1OC2=CC=CC=C2O1)[N+](=O)[O-])O)(C#N)C3=CC(=C(C(=C3OC)OC)OC)OC

InChI

InChI=1S/C29H38N2O9/c1-7-18(8-2)29(17-30,19-15-24(35-3)27(37-5)28(38-6)26(19)36-4)14-13-21(32)20(31(33)34)16-25-39-22-11-9-10-12-23(22)40-25/h9-12,15,18,20-21,25,32H,7-8,13-14,16H2,1-6H3