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

Systemtic Name: 7-(1,3-benzodioxol-2-yl)-2-butan-2-yl-2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-6-nitro-heptanenitrile Openeye Name: 7-(1,3-benzodioxol-2-yl)-2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-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)-6-nitroheptanenitrile IUPAC Name: 7-(1,3-benzodioxol-2-yl)-2-butan-2-yl-2-(2,5-diethoxy-3,4-dimethoxyphenyl)-6-nitroheptanenitrile Traditional Name: 7-(1,3-benzodioxol-2-yl)-2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-6-nitro-2-sec-butyl-enanthonitrile Formula: C30H40N2O8 MolecularWeight: 556.6472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H40N2O8/c1-7-20(4)30(19-31,22-18-25(37-8-2)28(35-5)29(36-6)27(22)38-9-3)16-12-13-21(32(33)34)17-26-39-23-14-10-11-15-24(23)40-26/h10-11,14-15,18,20-21,26H,7-9,12-13,16-17H2,1-6H3