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

Systemtic Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxy-2,5-dipentoxy-phenyl)-2-ethyl-6-nitro-heptanenitrile Openeye Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxy-2,5-dipentoxy-phenyl)-2-ethyl-6-nitro-heptanenitrile CAS Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxy-2,5-dipentoxyphenyl)-2-ethyl-6-nitroheptanenitrile IUPAC Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxy-2,5-dipentoxyphenyl)-2-ethyl-6-nitroheptanenitrile Traditional Name: 2-(2,5-diamoxy-3,4-dimethoxy-phenyl)-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-ethyl-6-nitro-enanthonitrile Formula: C35H50N2O8 MolecularWeight: 626.7801

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H50N2O8/c1-6-9-13-20-42-31-23-28(32(43-21-14-10-7-2)34(41-5)33(31)40-4)35(8-3,25-36)19-15-16-26(37(38)39)22-27-24-44-29-17-11-12-18-30(29)45-27/h11-12,17-18,23,26-27H,6-10,13-16,19-22,24H2,1-5H3