O1-[(4,5-dimethoxy-2-nitro-phenyl)methyl] O3-[1-(3,5-dimethoxyphenyl)-2-oxidanylidene-2-phenyl-ethyl] propanedioate

Systemtic Name: O1-[(4,5-dimethoxy-2-nitro-phenyl)methyl] O3-[1-(3,5-dimethoxyphenyl)-2-oxidanylidene-2-phenyl-ethyl] propanedioate Openeye Name: O1-[(4,5-dimethoxy-2-nitro-phenyl)methyl] O3-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenyl-ethyl] propanedioate CAS Name: propanedioic acid O1-[(4,5-dimethoxy-2-nitrophenyl)methyl] ester O3-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] ester IUPAC Name: 1-O-[(4,5-dimethoxy-2-nitrophenyl)methyl] 3-O-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] propanedioate Traditional Name: malonic acid O1-(4,5-dimethoxy-2-nitro-benzyl) ester O3-[1-(3,5-dimethoxyphenyl)-2-keto-2-phenyl-ethyl] ester Formula: C28H27NO11 MolecularWeight: 553.51408

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H27NO11/c1-35-20-10-18(11-21(13-20)36-2)28(27(32)17-8-6-5-7-9-17)40-26(31)15-25(30)39-16-19-12-23(37-3)24(38-4)14-22(19)29(33)34/h5-14,28H,15-16H2,1-4H3