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

Systemtic Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxyphenyl)-6-nitro-2-pentan-3-yl-heptanenitrile Openeye Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxyphenyl)-2-(1-ethylpropyl)-6-nitro-heptanenitrile CAS Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxyphenyl)-6-nitro-2-pentan-3-ylheptanenitrile IUPAC Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxyphenyl)-6-nitro-2-pentan-3-ylheptanenitrile Traditional Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxyphenyl)-2-(1-ethylpropyl)-6-nitro-enanthonitrile Formula: C28H36N2O6 MolecularWeight: 496.59524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N2O6/c1-5-20(6-2)28(19-29,21-13-14-24(33-3)27(16-21)34-4)15-9-10-22(30(31)32)17-23-18-35-25-11-7-8-12-26(25)36-23/h7-8,11-14,16,20,22-23H,5-6,9-10,15,17-18H2,1-4H3