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

Systemtic Name: 7-(1,3-benzodioxol-2-yl)-2-methyl-6-nitro-2-(2,3,4-trimethoxyphenyl)heptanenitrile Openeye Name: 7-(1,3-benzodioxol-2-yl)-2-methyl-6-nitro-2-(2,3,4-trimethoxyphenyl)heptanenitrile CAS Name: 7-(1,3-benzodioxol-2-yl)-2-methyl-6-nitro-2-(2,3,4-trimethoxyphenyl)heptanenitrile IUPAC Name: 7-(1,3-benzodioxol-2-yl)-2-methyl-6-nitro-2-(2,3,4-trimethoxyphenyl)heptanenitrile Traditional Name: 7-(1,3-benzodioxol-2-yl)-2-methyl-6-nitro-2-(2,3,4-trimethoxyphenyl)enanthonitrile Formula: C24H28N2O7 MolecularWeight: 456.48832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O7/c1-24(15-25,17-11-12-20(29-2)23(31-4)22(17)30-3)13-7-8-16(26(27)28)14-21-32-18-9-5-6-10-19(18)33-21/h5-6,9-12,16,21H,7-8,13-14H2,1-4H3