7-(1,3-benzodioxol-2-yl)-2-methyl-6-nitro-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile

Systemtic Name: 7-(1,3-benzodioxol-2-yl)-2-methyl-6-nitro-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile Openeye Name: 7-(1,3-benzodioxol-2-yl)-2-methyl-6-nitro-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile CAS Name: 7-(1,3-benzodioxol-2-yl)-2-methyl-6-nitro-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile IUPAC Name: 7-(1,3-benzodioxol-2-yl)-2-methyl-6-nitro-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile Traditional Name: 7-(1,3-benzodioxol-2-yl)-2-methyl-6-nitro-2-(2,3,4,5-tetramethoxyphenyl)enanthonitrile Formula: C25H30N2O8 MolecularWeight: 486.5143

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(CC1OC2=CC=CC=C2O1)[N+](=O)[O-])(C#N)C3=CC(=C(C(=C3OC)OC)OC)OC

Isomeric SMILES

CC(CCCC(CC1OC2=CC=CC=C2O1)[N+](=O)[O-])(C#N)C3=CC(=C(C(=C3OC)OC)OC)OC

InChI

InChI=1S/C25H30N2O8/c1-25(15-26,17-14-20(30-2)23(32-4)24(33-5)22(17)31-3)12-8-9-16(27(28)29)13-21-34-18-10-6-7-11-19(18)35-21/h6-7,10-11,14,16,21H,8-9,12-13H2,1-5H3