7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxyphenyl)-2-methyl-6-nitro-5-oxidanyl-heptanenitrile

Systemtic Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxyphenyl)-2-methyl-6-nitro-5-oxidanyl-heptanenitrile Openeye Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxyphenyl)-5-hydroxy-2-methyl-6-nitro-heptanenitrile CAS Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxyphenyl)-5-hydroxy-2-methyl-6-nitroheptanenitrile IUPAC Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxyphenyl)-5-hydroxy-2-methyl-6-nitroheptanenitrile Traditional Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxyphenyl)-5-hydroxy-2-methyl-6-nitro-enanthonitrile Formula: C24H28N2O7 MolecularWeight: 456.48832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O7/c1-24(15-25,16-8-9-20(30-2)23(12-16)31-3)11-10-19(27)18(26(28)29)13-17-14-32-21-6-4-5-7-22(21)33-17/h4-9,12,17-19,27H,10-11,13-14H2,1-3H3