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

Systemtic Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-nitro-2-pentan-3-yl-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile Openeye Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1-ethylpropyl)-6-nitro-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile CAS Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-nitro-2-pentan-3-yl-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile IUPAC Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-nitro-2-pentan-3-yl-2-(2,3,4,5-tetramethoxyphenyl)heptanenitrile Traditional Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1-ethylpropyl)-6-nitro-2-(2,3,4,5-tetramethoxyphenyl)enanthonitrile Formula: C30H40N2O8 MolecularWeight: 556.6472

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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(=C3OC)OC)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C30H40N2O8/c1-7-20(8-2)30(19-31,23-17-26(35-3)28(37-5)29(38-6)27(23)36-4)15-11-12-21(32(33)34)16-22-18-39-24-13-9-10-14-25(24)40-22/h9-10,13-14,17,20-22H,7-8,11-12,15-16,18H2,1-6H3