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

Systemtic Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-ethyl-6-nitro-2-(3,4,5-trimethoxyphenyl)heptanenitrile Openeye Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-ethyl-6-nitro-2-(3,4,5-trimethoxyphenyl)heptanenitrile CAS Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-ethyl-6-nitro-2-(3,4,5-trimethoxyphenyl)heptanenitrile IUPAC Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-ethyl-6-nitro-2-(3,4,5-trimethoxyphenyl)heptanenitrile Traditional Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-ethyl-6-nitro-2-(3,4,5-trimethoxyphenyl)enanthonitrile Formula: C26H32N2O7 MolecularWeight: 484.54148

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCC(CC1COC2=CC=CC=C2O1)[N+](=O)[O-])(C#N)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCC(CCCC(CC1COC2=CC=CC=C2O1)[N+](=O)[O-])(C#N)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C26H32N2O7/c1-5-26(17-27,18-13-23(31-2)25(33-4)24(14-18)32-3)12-8-9-19(28(29)30)15-20-16-34-21-10-6-7-11-22(21)35-20/h6-7,10-11,13-14,19-20H,5,8-9,12,15-16H2,1-4H3