7-(1,3-benzodioxol-2-yl)-2-butan-2-yl-2-(3,4-dimethoxyphenyl)-6-nitro-5-oxidanyl-heptanenitrile

Systemtic Name: 7-(1,3-benzodioxol-2-yl)-2-butan-2-yl-2-(3,4-dimethoxyphenyl)-6-nitro-5-oxidanyl-heptanenitrile Openeye Name: 7-(1,3-benzodioxol-2-yl)-2-(3,4-dimethoxyphenyl)-5-hydroxy-6-nitro-2-sec-butyl-heptanenitrile CAS Name: 7-(1,3-benzodioxol-2-yl)-2-butan-2-yl-2-(3,4-dimethoxyphenyl)-5-hydroxy-6-nitroheptanenitrile IUPAC Name: 7-(1,3-benzodioxol-2-yl)-2-butan-2-yl-2-(3,4-dimethoxyphenyl)-5-hydroxy-6-nitroheptanenitrile Traditional Name: 7-(1,3-benzodioxol-2-yl)-2-(3,4-dimethoxyphenyl)-5-hydroxy-6-nitro-2-sec-butyl-enanthonitrile Formula: C26H32N2O7 MolecularWeight: 484.54148

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CCC(C(CC1OC2=CC=CC=C2O1)[N+](=O)[O-])O)(C#N)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC(C)C(CCC(C(CC1OC2=CC=CC=C2O1)[N+](=O)[O-])O)(C#N)C3=CC(=C(C=C3)OC)OC

InChI

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