O1-[(4,5-dimethoxy-2-nitro-phenyl)methyl] O7-[1-(3,5-dimethoxyphenyl)-2-oxidanylidene-2-phenyl-ethyl] heptanedioate

Systemtic Name: O1-[(4,5-dimethoxy-2-nitro-phenyl)methyl] O7-[1-(3,5-dimethoxyphenyl)-2-oxidanylidene-2-phenyl-ethyl] heptanedioate Openeye Name: O1-[(4,5-dimethoxy-2-nitro-phenyl)methyl] O7-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenyl-ethyl] heptanedioate CAS Name: heptanedioic acid O1-[(4,5-dimethoxy-2-nitrophenyl)methyl] ester O7-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] ester IUPAC Name: 1-O-[(4,5-dimethoxy-2-nitrophenyl)methyl] 7-O-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] heptanedioate Traditional Name: pimelic acid O1-(4,5-dimethoxy-2-nitro-benzyl) ester O7-[1-(3,5-dimethoxyphenyl)-2-keto-2-phenyl-ethyl] ester Formula: C32H35NO11 MolecularWeight: 609.6204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(C(=O)C2=CC=CC=C2)OC(=O)CCCCCC(=O)OCC3=CC(=C(C=C3[N+](=O)[O-])OC)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(C(=O)C2=CC=CC=C2)OC(=O)CCCCCC(=O)OCC3=CC(=C(C=C3[N+](=O)[O-])OC)OC)OC

InChI

InChI=1S/C32H35NO11/c1-39-24-15-22(16-25(18-24)40-2)32(31(36)21-11-7-5-8-12-21)44-30(35)14-10-6-9-13-29(34)43-20-23-17-27(41-3)28(42-4)19-26(23)33(37)38/h5,7-8,11-12,15-19,32H,6,9-10,13-14,20H2,1-4H3