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

Systemtic Name: 7-(1,3-benzodioxol-2-yl)-2-(3,4-dimethoxy-2,5-dipentoxy-phenyl)-2-methyl-6-nitro-heptanenitrile Openeye Name: 7-(1,3-benzodioxol-2-yl)-2-(3,4-dimethoxy-2,5-dipentoxy-phenyl)-2-methyl-6-nitro-heptanenitrile CAS Name: 7-(1,3-benzodioxol-2-yl)-2-(3,4-dimethoxy-2,5-dipentoxyphenyl)-2-methyl-6-nitroheptanenitrile IUPAC Name: 7-(1,3-benzodioxol-2-yl)-2-(3,4-dimethoxy-2,5-dipentoxyphenyl)-2-methyl-6-nitroheptanenitrile Traditional Name: 7-(1,3-benzodioxol-2-yl)-2-(2,5-diamoxy-3,4-dimethoxy-phenyl)-2-methyl-6-nitro-enanthonitrile Formula: C33H46N2O8 MolecularWeight: 598.72694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C(=C(C(=C1)C(C)(CCCC(CC2OC3=CC=CC=C3O2)[N+](=O)[O-])C#N)OCCCCC)OC)OC

Isomeric SMILES

CCCCCOC1=C(C(=C(C(=C1)C(C)(CCCC(CC2OC3=CC=CC=C3O2)[N+](=O)[O-])C#N)OCCCCC)OC)OC

InChI

InChI=1S/C33H46N2O8/c1-6-8-12-19-40-28-22-25(30(41-20-13-9-7-2)32(39-5)31(28)38-4)33(3,23-34)18-14-15-24(35(36)37)21-29-42-26-16-10-11-17-27(26)43-29/h10-11,16-17,22,24,29H,6-9,12-15,18-21H2,1-5H3