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

Systemtic Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-nitro-5-oxidanyl-2-pentan-3-yl-2-(3,4,5-trimethoxyphenyl)heptanenitrile Openeye Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1-ethylpropyl)-5-hydroxy-6-nitro-2-(3,4,5-trimethoxyphenyl)heptanenitrile CAS Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-hydroxy-6-nitro-2-pentan-3-yl-2-(3,4,5-trimethoxyphenyl)heptanenitrile IUPAC Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-hydroxy-6-nitro-2-pentan-3-yl-2-(3,4,5-trimethoxyphenyl)heptanenitrile Traditional Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1-ethylpropyl)-5-hydroxy-6-nitro-2-(3,4,5-trimethoxyphenyl)enanthonitrile Formula: C29H38N2O8 MolecularWeight: 542.62062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38N2O8/c1-6-19(7-2)29(18-30,20-14-26(35-3)28(37-5)27(15-20)36-4)13-12-23(32)22(31(33)34)16-21-17-38-24-10-8-9-11-25(24)39-21/h8-11,14-15,19,21-23,32H,6-7,12-13,16-17H2,1-5H3