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

Systemtic Name: 7-(1,3-benzodioxol-2-yl)-2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-6-nitro-5-oxidanyl-2-pentan-3-yl-heptanenitrile Openeye Name: 7-(1,3-benzodioxol-2-yl)-2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-2-(1-ethylpropyl)-5-hydroxy-6-nitro-heptanenitrile CAS Name: 7-(1,3-benzodioxol-2-yl)-2-(2,5-diethoxy-3,4-dimethoxyphenyl)-5-hydroxy-6-nitro-2-pentan-3-ylheptanenitrile IUPAC Name: 7-(1,3-benzodioxol-2-yl)-2-(2,5-diethoxy-3,4-dimethoxyphenyl)-5-hydroxy-6-nitro-2-pentan-3-ylheptanenitrile Traditional Name: 7-(1,3-benzodioxol-2-yl)-2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-2-(1-ethylpropyl)-5-hydroxy-6-nitro-enanthonitrile Formula: C31H42N2O9 MolecularWeight: 586.67318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H42N2O9/c1-7-20(8-2)31(19-32,21-17-26(39-9-3)29(37-5)30(38-6)28(21)40-10-4)16-15-23(34)22(33(35)36)18-27-41-24-13-11-12-14-25(24)42-27/h11-14,17,20,22-23,27,34H,7-10,15-16,18H2,1-6H3