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

Systemtic Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methyl-6-nitro-5-oxidanyl-2-(3,4,5-trimethoxyphenyl)heptanenitrile Openeye Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-hydroxy-2-methyl-6-nitro-2-(3,4,5-trimethoxyphenyl)heptanenitrile CAS Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-hydroxy-2-methyl-6-nitro-2-(3,4,5-trimethoxyphenyl)heptanenitrile IUPAC Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-hydroxy-2-methyl-6-nitro-2-(3,4,5-trimethoxyphenyl)heptanenitrile Traditional Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-hydroxy-2-methyl-6-nitro-2-(3,4,5-trimethoxyphenyl)enanthonitrile Formula: C25H30N2O8 MolecularWeight: 486.5143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O8/c1-25(15-26,16-11-22(31-2)24(33-4)23(12-16)32-3)10-9-19(28)18(27(29)30)13-17-14-34-20-7-5-6-8-21(20)35-17/h5-8,11-12,17-19,28H,9-10,13-14H2,1-4H3