7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxy-2,5-dipentoxy-phenyl)-6-nitro-5-oxidanyl-2-propan-2-yl-heptanenitrile

Systemtic Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxy-2,5-dipentoxy-phenyl)-6-nitro-5-oxidanyl-2-propan-2-yl-heptanenitrile Openeye Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxy-2,5-dipentoxy-phenyl)-5-hydroxy-2-isopropyl-6-nitro-heptanenitrile CAS Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxy-2,5-dipentoxyphenyl)-5-hydroxy-6-nitro-2-propan-2-ylheptanenitrile IUPAC Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxy-2,5-dipentoxyphenyl)-5-hydroxy-6-nitro-2-propan-2-ylheptanenitrile Traditional Name: 2-(2,5-diamoxy-3,4-dimethoxy-phenyl)-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-hydroxy-2-isopropyl-6-nitro-enanthonitrile Formula: C36H52N2O9 MolecularWeight: 656.80608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C(=C(C(=C1)C(CCC(C(CC2COC3=CC=CC=C3O2)[N+](=O)[O-])O)(C#N)C(C)C)OCCCCC)OC)OC

Isomeric SMILES

CCCCCOC1=C(C(=C(C(=C1)C(CCC(C(CC2COC3=CC=CC=C3O2)[N+](=O)[O-])O)(C#N)C(C)C)OCCCCC)OC)OC

InChI

InChI=1S/C36H52N2O9/c1-7-9-13-19-44-32-22-27(33(45-20-14-10-8-2)35(43-6)34(32)42-5)36(24-37,25(3)4)18-17-29(39)28(38(40)41)21-26-23-46-30-15-11-12-16-31(30)47-26/h11-12,15-16,22,25-26,28-29,39H,7-10,13-14,17-21,23H2,1-6H3