[6-cyano-1,6-bis(3,4-dimethoxyphenyl)-7-methyl-2-nitro-octan-3-yl] ethanoate

Systemtic Name: [6-cyano-1,6-bis(3,4-dimethoxyphenyl)-7-methyl-2-nitro-octan-3-yl] ethanoate Openeye Name: [4-cyano-4-(3,4-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)-1-nitro-ethyl]-5-methyl-hexyl] acetate CAS Name: acetic acid [6-cyano-1,6-bis(3,4-dimethoxyphenyl)-7-methyl-2-nitrooctan-3-yl] ester IUPAC Name: [6-cyano-1,6-bis(3,4-dimethoxyphenyl)-7-methyl-2-nitrooctan-3-yl] acetate Traditional Name: acetic acid [4-cyano-4-(3,4-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)-1-nitro-ethyl]-5-methyl-hexyl] ester Formula: C28H36N2O8 MolecularWeight: 528.59404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N2O8/c1-18(2)28(17-29,21-9-11-25(35-5)27(16-21)37-7)13-12-23(38-19(3)31)22(30(32)33)14-20-8-10-24(34-4)26(15-20)36-6/h8-11,15-16,18,22-23H,12-14H2,1-7H3