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

Systemtic Name: 7-(1,3-benzodioxol-2-yl)-2-methyl-6-nitro-5-oxidanyl-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile Openeye Name: 7-(1,3-benzodioxol-2-yl)-5-hydroxy-2-methyl-6-nitro-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile CAS Name: 7-(1,3-benzodioxol-2-yl)-5-hydroxy-2-methyl-6-nitro-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile IUPAC Name: 7-(1,3-benzodioxol-2-yl)-5-hydroxy-2-methyl-6-nitro-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile Traditional Name: 7-(1,3-benzodioxol-2-yl)-5-hydroxy-2-methyl-6-nitro-2-(2,3,4,5-tetramethoxyphenyl)enanthonitrile Formula: C25H30N2O9 MolecularWeight: 502.5137

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O9/c1-25(14-26,15-12-20(31-2)23(33-4)24(34-5)22(15)32-3)11-10-17(28)16(27(29)30)13-21-35-18-8-6-7-9-19(18)36-21/h6-9,12,16-17,21,28H,10-11,13H2,1-5H3