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

Systemtic Name: 7-(1,3-benzodioxol-2-yl)-2-butan-2-yl-6-nitro-5-oxidanyl-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile Openeye Name: 7-(1,3-benzodioxol-2-yl)-5-hydroxy-6-nitro-2-sec-butyl-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile CAS Name: 7-(1,3-benzodioxol-2-yl)-2-butan-2-yl-5-hydroxy-6-nitro-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile IUPAC Name: 7-(1,3-benzodioxol-2-yl)-2-butan-2-yl-5-hydroxy-6-nitro-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile Traditional Name: 7-(1,3-benzodioxol-2-yl)-5-hydroxy-6-nitro-2-sec-butyl-2-(2,3,4,5-tetramethoxyphenyl)enanthonitrile Formula: C28H36N2O9 MolecularWeight: 544.59344

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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(=C3OC)OC)OC)OC

Isomeric SMILES

CCC(C)C(CCC(C(CC1OC2=CC=CC=C2O1)[N+](=O)[O-])O)(C#N)C3=CC(=C(C(=C3OC)OC)OC)OC

InChI

InChI=1S/C28H36N2O9/c1-7-17(2)28(16-29,18-14-23(34-3)26(36-5)27(37-6)25(18)35-4)13-12-20(31)19(30(32)33)15-24-38-21-10-8-9-11-22(21)39-24/h8-11,14,17,19-20,24,31H,7,12-13,15H2,1-6H3