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

Systemtic Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-nitro-5-oxidanyl-2-propan-2-yl-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile Openeye Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-hydroxy-2-isopropyl-6-nitro-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile CAS Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-hydroxy-6-nitro-2-propan-2-yl-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile IUPAC Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-hydroxy-6-nitro-2-propan-2-yl-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile Traditional Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-hydroxy-2-isopropyl-6-nitro-2-(2,3,4,5-tetramethoxyphenyl)enanthonitrile Formula: C28H36N2O9 MolecularWeight: 544.59344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(C(CC1COC2=CC=CC=C2O1)[N+](=O)[O-])O)(C#N)C3=CC(=C(C(=C3OC)OC)OC)OC

Isomeric SMILES

CC(C)C(CCC(C(CC1COC2=CC=CC=C2O1)[N+](=O)[O-])O)(C#N)C3=CC(=C(C(=C3OC)OC)OC)OC

InChI

InChI=1S/C28H36N2O9/c1-17(2)28(16-29,19-14-24(34-3)26(36-5)27(37-6)25(19)35-4)12-11-21(31)20(30(32)33)13-18-15-38-22-9-7-8-10-23(22)39-18/h7-10,14,17-18,20-21,31H,11-13,15H2,1-6H3