dimethyl 2-[1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]propanedioate

Systemtic Name: dimethyl 2-[1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]propanedioate Openeye Name: dimethyl 2-[1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]propanedioate CAS Name: 2-[1-(3,4-dimethoxyphenyl)-2-nitroethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[1-(3,4-dimethoxyphenyl)-2-nitroethyl]propanedioate Traditional Name: 2-[1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]malonic acid dimethyl ester Formula: C15H19NO8 MolecularWeight: 341.31326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C[N+](=O)[O-])C(C(=O)OC)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C[N+](=O)[O-])C(C(=O)OC)C(=O)OC)OC

InChI

InChI=1S/C15H19NO8/c1-21-11-6-5-9(7-12(11)22-2)10(8-16(19)20)13(14(17)23-3)15(18)24-4/h5-7,10,13H,8H2,1-4H3