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

Systemtic Name: 7-(1,3-benzodioxol-2-yl)-6-nitro-5-oxidanyl-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)heptanenitrile Openeye Name: 7-(1,3-benzodioxol-2-yl)-5-hydroxy-2-isopropyl-6-nitro-2-(3,4,5-trimethoxyphenyl)heptanenitrile CAS Name: 7-(1,3-benzodioxol-2-yl)-5-hydroxy-6-nitro-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)heptanenitrile IUPAC Name: 7-(1,3-benzodioxol-2-yl)-5-hydroxy-6-nitro-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)heptanenitrile Traditional Name: 7-(1,3-benzodioxol-2-yl)-5-hydroxy-2-isopropyl-6-nitro-2-(3,4,5-trimethoxyphenyl)enanthonitrile Formula: C26H32N2O8 MolecularWeight: 500.54088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O8/c1-16(2)26(15-27,17-12-22(32-3)25(34-5)23(13-17)33-4)11-10-19(29)18(28(30)31)14-24-35-20-8-6-7-9-21(20)36-24/h6-9,12-13,16,18-19,24,29H,10-11,14H2,1-5H3