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

Systemtic Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methyl-6-nitro-5-oxidanyl-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile Openeye Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-hydroxy-2-methyl-6-nitro-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile CAS Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-hydroxy-2-methyl-6-nitro-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile IUPAC Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-hydroxy-2-methyl-6-nitro-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile Traditional Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-hydroxy-2-methyl-6-nitro-2-(2,3,4,5-tetramethoxyphenyl)enanthonitrile Formula: C26H32N2O9 MolecularWeight: 516.54028

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C(CC1COC2=CC=CC=C2O1)[N+](=O)[O-])O)(C#N)C3=CC(=C(C(=C3OC)OC)OC)OC

Isomeric SMILES

CC(CCC(C(CC1COC2=CC=CC=C2O1)[N+](=O)[O-])O)(C#N)C3=CC(=C(C(=C3OC)OC)OC)OC

InChI

InChI=1S/C26H32N2O9/c1-26(15-27,17-13-22(32-2)24(34-4)25(35-5)23(17)33-3)11-10-19(29)18(28(30)31)12-16-14-36-20-8-6-7-9-21(20)37-16/h6-9,13,16,18-19,29H,10-12,14H2,1-5H3