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

Systemtic Name: 7-(1,3-benzodioxol-2-yl)-2-butan-2-yl-2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-6-nitro-5-oxidanyl-heptanenitrile Openeye Name: 7-(1,3-benzodioxol-2-yl)-2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-5-hydroxy-6-nitro-2-sec-butyl-heptanenitrile CAS Name: 7-(1,3-benzodioxol-2-yl)-2-butan-2-yl-2-(2,5-diethoxy-3,4-dimethoxyphenyl)-5-hydroxy-6-nitroheptanenitrile IUPAC Name: 7-(1,3-benzodioxol-2-yl)-2-butan-2-yl-2-(2,5-diethoxy-3,4-dimethoxyphenyl)-5-hydroxy-6-nitroheptanenitrile Traditional Name: 7-(1,3-benzodioxol-2-yl)-2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-5-hydroxy-6-nitro-2-sec-butyl-enanthonitrile Formula: C30H40N2O9 MolecularWeight: 572.6466

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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(=C3OCC)OC)OC)OCC

Isomeric SMILES

CCC(C)C(CCC(C(CC1OC2=CC=CC=C2O1)[N+](=O)[O-])O)(C#N)C3=CC(=C(C(=C3OCC)OC)OC)OCC

InChI

InChI=1S/C30H40N2O9/c1-7-19(4)30(18-31,20-16-25(38-8-2)28(36-5)29(37-6)27(20)39-9-3)15-14-22(33)21(32(34)35)17-26-40-23-12-10-11-13-24(23)41-26/h10-13,16,19,21-22,26,33H,7-9,14-15,17H2,1-6H3