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

Systemtic Name: [6-cyano-6-(3,4-dimethoxy-2,5-dipentoxy-phenyl)-1-(3,4-dimethoxyphenyl)-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]hexyl] acetate CAS Name: acetic acid [6-cyano-6-(3,4-dimethoxy-2,5-dipentoxyphenyl)-1-(3,4-dimethoxyphenyl)-2-nitrooctan-3-yl] ester IUPAC Name: [6-cyano-6-(3,4-dimethoxy-2,5-dipentoxyphenyl)-1-(3,4-dimethoxyphenyl)-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]hexyl] ester Formula: C37H54N2O10 MolecularWeight: 686.83206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H54N2O10/c1-9-12-14-20-47-33-24-28(34(48-21-15-13-10-2)36(46-8)35(33)45-7)37(11-3,25-38)19-18-30(49-26(4)40)29(39(41)42)22-27-16-17-31(43-5)32(23-27)44-6/h16-17,23-24,29-30H,9-15,18-22H2,1-8H3