2-butan-2-yl-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-nitro-5-oxidanyl-2-(2,3,4-trimethoxyphenyl)heptanenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CCC(C(CC1COC2=CC=CC=C2O1)[N+](=O)[O-])O)(C#N)C3=C(C(=C(C=C3)OC)OC)OC

Isomeric SMILES

CCC(C)C(CCC(C(CC1COC2=CC=CC=C2O1)[N+](=O)[O-])O)(C#N)C3=C(C(=C(C=C3)OC)OC)OC

InChI

InChI=1S/C28H36N2O8/c1-6-18(2)28(17-29,20-11-12-25(34-3)27(36-5)26(20)35-4)14-13-22(31)21(30(32)33)15-19-16-37-23-9-7-8-10-24(23)38-19/h7-12,18-19,21-22,31H,6,13-16H2,1-5H3