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

Systemtic Name: 2,7-bis(3,4-dimethoxyphenyl)-6-nitro-2-pentan-3-yl-heptanenitrile Openeye Name: 2,7-bis(3,4-dimethoxyphenyl)-2-(1-ethylpropyl)-6-nitro-heptanenitrile CAS Name: 2,7-bis(3,4-dimethoxyphenyl)-6-nitro-2-pentan-3-ylheptanenitrile IUPAC Name: 2,7-bis(3,4-dimethoxyphenyl)-6-nitro-2-pentan-3-ylheptanenitrile Traditional Name: 2,7-bis(3,4-dimethoxyphenyl)-2-(1-ethylpropyl)-6-nitro-enanthonitrile Formula: C28H38N2O6 MolecularWeight: 498.61112

Click to see the large picture

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

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

InChI

InChI=1S/C28H38N2O6/c1-7-21(8-2)28(19-29,22-12-14-25(34-4)27(18-22)36-6)15-9-10-23(30(31)32)16-20-11-13-24(33-3)26(17-20)35-5/h11-14,17-18,21,23H,7-10,15-16H2,1-6H3