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

Systemtic Name: dimethyl 2-[1-(3,4-diethoxyphenyl)-2-nitro-ethyl]propanedioate Openeye Name: dimethyl 2-[1-(3,4-diethoxyphenyl)-2-nitro-ethyl]propanedioate CAS Name: 2-[1-(3,4-diethoxyphenyl)-2-nitroethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[1-(3,4-diethoxyphenyl)-2-nitroethyl]propanedioate Traditional Name: 2-[1-(3,4-diethoxyphenyl)-2-nitro-ethyl]malonic acid dimethyl ester Formula: C17H23NO8 MolecularWeight: 369.36642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C[N+](=O)[O-])C(C(=O)OC)C(=O)OC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C[N+](=O)[O-])C(C(=O)OC)C(=O)OC)OCC

InChI

InChI=1S/C17H23NO8/c1-5-25-13-8-7-11(9-14(13)26-6-2)12(10-18(21)22)15(16(19)23-3)17(20)24-4/h7-9,12,15H,5-6,10H2,1-4H3