dimethyl 2-[1-(4-methoxyphenyl)-2-nitro-ethyl]propanedioate

Systemtic Name: dimethyl 2-[1-(4-methoxyphenyl)-2-nitro-ethyl]propanedioate Openeye Name: dimethyl 2-[1-(4-methoxyphenyl)-2-nitro-ethyl]propanedioate CAS Name: 2-[1-(4-methoxyphenyl)-2-nitroethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[1-(4-methoxyphenyl)-2-nitroethyl]propanedioate Traditional Name: 2-[1-(4-methoxyphenyl)-2-nitro-ethyl]malonic acid dimethyl ester Formula: C14H17NO7 MolecularWeight: 311.28728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO7/c1-20-10-6-4-9(5-7-10)11(8-15(18)19)12(13(16)21-2)14(17)22-3/h4-7,11-12H,8H2,1-3H3