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

Systemtic Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxy-2,5-dipentoxy-phenyl)-2-methyl-6-nitro-heptanenitrile Openeye Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxy-2,5-dipentoxy-phenyl)-2-methyl-6-nitro-heptanenitrile CAS Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxy-2,5-dipentoxyphenyl)-2-methyl-6-nitroheptanenitrile IUPAC Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxy-2,5-dipentoxyphenyl)-2-methyl-6-nitroheptanenitrile Traditional Name: 2-(2,5-diamoxy-3,4-dimethoxy-phenyl)-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methyl-6-nitro-enanthonitrile Formula: C34H48N2O8 MolecularWeight: 612.75352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H48N2O8/c1-6-8-12-19-41-30-22-27(31(42-20-13-9-7-2)33(40-5)32(30)39-4)34(3,24-35)18-14-15-25(36(37)38)21-26-23-43-28-16-10-11-17-29(28)44-26/h10-11,16-17,22,25-26H,6-9,12-15,18-21,23H2,1-5H3