7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxy-2,5-dipentoxy-phenyl)-6-nitro-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-2-propan-2-yl-heptanenitrile Openeye Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxy-2,5-dipentoxy-phenyl)-2-isopropyl-6-nitro-heptanenitrile CAS Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxy-2,5-dipentoxyphenyl)-6-nitro-2-propan-2-ylheptanenitrile IUPAC Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxy-2,5-dipentoxyphenyl)-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)-2-isopropyl-6-nitro-enanthonitrile Formula: C36H52N2O8 MolecularWeight: 640.80668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H52N2O8/c1-7-9-13-20-43-32-23-29(33(44-21-14-10-8-2)35(42-6)34(32)41-5)36(25-37,26(3)4)19-15-16-27(38(39)40)22-28-24-45-30-17-11-12-18-31(30)46-28/h11-12,17-18,23,26-28H,7-10,13-16,19-22,24H2,1-6H3