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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O9/c1-6-26(15-27,16-13-21(32-2)24(34-4)25(35-5)23(16)33-3)12-11-18(29)17(28(30)31)14-22-36-19-9-7-8-10-20(19)37-22/h7-10,13,17-18,22,29H,6,11-12,14H2,1-5H3