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

Systemtic Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxyphenyl)-6-nitro-5-oxidanyl-2-propan-2-yl-heptanenitrile Openeye Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxyphenyl)-5-hydroxy-2-isopropyl-6-nitro-heptanenitrile CAS Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxyphenyl)-5-hydroxy-6-nitro-2-propan-2-ylheptanenitrile IUPAC Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxyphenyl)-5-hydroxy-6-nitro-2-propan-2-ylheptanenitrile Traditional Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxyphenyl)-5-hydroxy-2-isopropyl-6-nitro-enanthonitrile Formula: C26H32N2O7 MolecularWeight: 484.54148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O7/c1-17(2)26(16-27,18-9-10-22(32-3)25(13-18)33-4)12-11-21(29)20(28(30)31)14-19-15-34-23-7-5-6-8-24(23)35-19/h5-10,13,17,19-21,29H,11-12,14-15H2,1-4H3