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

Systemtic Name: 2-butan-2-yl-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-nitro-5-oxidanyl-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile Openeye Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-hydroxy-6-nitro-2-sec-butyl-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile CAS Name: 2-butan-2-yl-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-hydroxy-6-nitro-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile IUPAC Name: 2-butan-2-yl-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-hydroxy-6-nitro-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile Traditional Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-hydroxy-6-nitro-2-sec-butyl-2-(2,3,4,5-tetramethoxyphenyl)enanthonitrile Formula: C29H38N2O9 MolecularWeight: 558.62002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CCC(C(CC1COC2=CC=CC=C2O1)[N+](=O)[O-])O)(C#N)C3=CC(=C(C(=C3OC)OC)OC)OC

Isomeric SMILES

CCC(C)C(CCC(C(CC1COC2=CC=CC=C2O1)[N+](=O)[O-])O)(C#N)C3=CC(=C(C(=C3OC)OC)OC)OC

InChI

InChI=1S/C29H38N2O9/c1-7-18(2)29(17-30,20-15-25(35-3)27(37-5)28(38-6)26(20)36-4)13-12-22(32)21(31(33)34)14-19-16-39-23-10-8-9-11-24(23)40-19/h8-11,15,18-19,21-22,32H,7,12-14,16H2,1-6H3