[6-cyano-6-(3,4-dimethoxy-2,5-dipentoxy-phenyl)-1-(3,4-dimethoxyphenyl)-7-methyl-2-nitro-octan-3-yl] ethanoate

Systemtic Name: [6-cyano-6-(3,4-dimethoxy-2,5-dipentoxy-phenyl)-1-(3,4-dimethoxyphenyl)-7-methyl-2-nitro-octan-3-yl] ethanoate Openeye Name: [4-cyano-4-(3,4-dimethoxy-2,5-dipentoxy-phenyl)-1-[2-(3,4-dimethoxyphenyl)-1-nitro-ethyl]-5-methyl-hexyl] acetate CAS Name: acetic acid [6-cyano-6-(3,4-dimethoxy-2,5-dipentoxyphenyl)-1-(3,4-dimethoxyphenyl)-7-methyl-2-nitrooctan-3-yl] ester IUPAC Name: [6-cyano-6-(3,4-dimethoxy-2,5-dipentoxyphenyl)-1-(3,4-dimethoxyphenyl)-7-methyl-2-nitrooctan-3-yl] acetate Traditional Name: acetic acid [4-cyano-4-(2,5-diamoxy-3,4-dimethoxy-phenyl)-1-[2-(3,4-dimethoxyphenyl)-1-nitro-ethyl]-5-methyl-hexyl] ester Formula: C38H56N2O10 MolecularWeight: 700.85864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C(=C(C(=C1)C(CCC(C(CC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-])OC(=O)C)(C#N)C(C)C)OCCCCC)OC)OC

Isomeric SMILES

CCCCCOC1=C(C(=C(C(=C1)C(CCC(C(CC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-])OC(=O)C)(C#N)C(C)C)OCCCCC)OC)OC

InChI

InChI=1S/C38H56N2O10/c1-10-12-14-20-48-34-24-29(35(49-21-15-13-11-2)37(47-9)36(34)46-8)38(25-39,26(3)4)19-18-31(50-27(5)41)30(40(42)43)22-28-16-17-32(44-6)33(23-28)45-7/h16-17,23-24,26,30-31H,10-15,18-22H2,1-9H3