7-(3,4-dimethoxyphenyl)-6-nitro-2-pentan-3-yl-2-(3,4,5-trimethoxyphenyl)heptanenitrile

Systemtic Name: 7-(3,4-dimethoxyphenyl)-6-nitro-2-pentan-3-yl-2-(3,4,5-trimethoxyphenyl)heptanenitrile Openeye Name: 7-(3,4-dimethoxyphenyl)-2-(1-ethylpropyl)-6-nitro-2-(3,4,5-trimethoxyphenyl)heptanenitrile CAS Name: 7-(3,4-dimethoxyphenyl)-6-nitro-2-pentan-3-yl-2-(3,4,5-trimethoxyphenyl)heptanenitrile IUPAC Name: 7-(3,4-dimethoxyphenyl)-6-nitro-2-pentan-3-yl-2-(3,4,5-trimethoxyphenyl)heptanenitrile Traditional Name: 7-(3,4-dimethoxyphenyl)-2-(1-ethylpropyl)-6-nitro-2-(3,4,5-trimethoxyphenyl)enanthonitrile Formula: C29H40N2O7 MolecularWeight: 528.6371

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CCCC(CC1=CC(=C(C=C1)OC)OC)[N+](=O)[O-])(C#N)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CCC(CC)C(CCCC(CC1=CC(=C(C=C1)OC)OC)[N+](=O)[O-])(C#N)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C29H40N2O7/c1-8-21(9-2)29(19-30,22-17-26(36-5)28(38-7)27(18-22)37-6)14-10-11-23(31(32)33)15-20-12-13-24(34-3)25(16-20)35-4/h12-13,16-18,21,23H,8-11,14-15H2,1-7H3