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

Systemtic Name: 7-(1,3-benzodioxol-2-yl)-2-butan-2-yl-6-nitro-5-oxidanyl-2-(3,4,5-trimethoxyphenyl)heptanenitrile Openeye Name: 7-(1,3-benzodioxol-2-yl)-5-hydroxy-6-nitro-2-sec-butyl-2-(3,4,5-trimethoxyphenyl)heptanenitrile CAS Name: 7-(1,3-benzodioxol-2-yl)-2-butan-2-yl-5-hydroxy-6-nitro-2-(3,4,5-trimethoxyphenyl)heptanenitrile IUPAC Name: 7-(1,3-benzodioxol-2-yl)-2-butan-2-yl-5-hydroxy-6-nitro-2-(3,4,5-trimethoxyphenyl)heptanenitrile Traditional Name: 7-(1,3-benzodioxol-2-yl)-5-hydroxy-6-nitro-2-sec-butyl-2-(3,4,5-trimethoxyphenyl)enanthonitrile Formula: C27H34N2O8 MolecularWeight: 514.56746

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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)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)OC

InChI

InChI=1S/C27H34N2O8/c1-6-17(2)27(16-28,18-13-23(33-3)26(35-5)24(14-18)34-4)12-11-20(30)19(29(31)32)15-25-36-21-9-7-8-10-22(21)37-25/h7-10,13-14,17,19-20,25,30H,6,11-12,15H2,1-5H3