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

Systemtic Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-ethyl-6-nitro-5-oxidanyl-2-(2,3,4-trimethoxyphenyl)heptanenitrile Openeye Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-ethyl-5-hydroxy-6-nitro-2-(2,3,4-trimethoxyphenyl)heptanenitrile CAS Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-ethyl-5-hydroxy-6-nitro-2-(2,3,4-trimethoxyphenyl)heptanenitrile IUPAC Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-ethyl-5-hydroxy-6-nitro-2-(2,3,4-trimethoxyphenyl)heptanenitrile Traditional Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-ethyl-5-hydroxy-6-nitro-2-(2,3,4-trimethoxyphenyl)enanthonitrile Formula: C26H32N2O8 MolecularWeight: 500.54088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O8/c1-5-26(16-27,18-10-11-23(32-2)25(34-4)24(18)33-3)13-12-20(29)19(28(30)31)14-17-15-35-21-8-6-7-9-22(21)36-17/h6-11,17,19-20,29H,5,12-15H2,1-4H3