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

Systemtic Name: 7-(1,3-benzodioxol-2-yl)-2-butan-2-yl-6-nitro-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile Openeye Name: 7-(1,3-benzodioxol-2-yl)-6-nitro-2-sec-butyl-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile CAS Name: 7-(1,3-benzodioxol-2-yl)-2-butan-2-yl-6-nitro-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile IUPAC Name: 7-(1,3-benzodioxol-2-yl)-2-butan-2-yl-6-nitro-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile Traditional Name: 7-(1,3-benzodioxol-2-yl)-6-nitro-2-sec-butyl-2-(2,3,4,5-tetramethoxyphenyl)enanthonitrile Formula: C28H36N2O8 MolecularWeight: 528.59404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N2O8/c1-7-18(2)28(17-29,20-16-23(33-3)26(35-5)27(36-6)25(20)34-4)14-10-11-19(30(31)32)15-24-37-21-12-8-9-13-22(21)38-24/h8-9,12-13,16,18-19,24H,7,10-11,14-15H2,1-6H3