7-(1,3-benzodioxol-2-yl)-6-nitro-2-propan-2-yl-2-(2,3,4-trimethoxyphenyl)heptanenitrile

Systemtic Name: 7-(1,3-benzodioxol-2-yl)-6-nitro-2-propan-2-yl-2-(2,3,4-trimethoxyphenyl)heptanenitrile Openeye Name: 7-(1,3-benzodioxol-2-yl)-2-isopropyl-6-nitro-2-(2,3,4-trimethoxyphenyl)heptanenitrile CAS Name: 7-(1,3-benzodioxol-2-yl)-6-nitro-2-propan-2-yl-2-(2,3,4-trimethoxyphenyl)heptanenitrile IUPAC Name: 7-(1,3-benzodioxol-2-yl)-6-nitro-2-propan-2-yl-2-(2,3,4-trimethoxyphenyl)heptanenitrile Traditional Name: 7-(1,3-benzodioxol-2-yl)-2-isopropyl-6-nitro-2-(2,3,4-trimethoxyphenyl)enanthonitrile Formula: C26H32N2O7 MolecularWeight: 484.54148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O7/c1-17(2)26(16-27,19-12-13-22(31-3)25(33-5)24(19)32-4)14-8-9-18(28(29)30)15-23-34-20-10-6-7-11-21(20)35-23/h6-7,10-13,17-18,23H,8-9,14-15H2,1-5H3