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

Systemtic Name: 7-(1,3-benzodioxol-2-yl)-6-nitro-2-propan-2-yl-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile Openeye Name: 7-(1,3-benzodioxol-2-yl)-2-isopropyl-6-nitro-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile CAS Name: 7-(1,3-benzodioxol-2-yl)-6-nitro-2-propan-2-yl-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile IUPAC Name: 7-(1,3-benzodioxol-2-yl)-6-nitro-2-propan-2-yl-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile Traditional Name: 7-(1,3-benzodioxol-2-yl)-2-isopropyl-6-nitro-2-(2,3,4,5-tetramethoxyphenyl)enanthonitrile Formula: C27H34N2O8 MolecularWeight: 514.56746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O8/c1-17(2)27(16-28,19-15-22(32-3)25(34-5)26(35-6)24(19)33-4)13-9-10-18(29(30)31)14-23-36-20-11-7-8-12-21(20)37-23/h7-8,11-12,15,17-18,23H,9-10,13-14H2,1-6H3