dimethyl 2-[(1R)-2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]propanedioate

Systemtic Name: dimethyl 2-[(1R)-2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]propanedioate Openeye Name: dimethyl 2-[(1R)-2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]propanedioate CAS Name: 2-[(1R)-2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1R)-2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]propanedioate Traditional Name: 2-[(1R)-2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]malonic acid dimethyl ester Formula: C16H21NO9 MolecularWeight: 371.33924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C[N+](=O)[O-])C(C(=O)OC)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@H](C[N+](=O)[O-])C(C(=O)OC)C(=O)OC

InChI

InChI=1S/C16H21NO9/c1-22-11-6-9(7-12(23-2)14(11)24-3)10(8-17(20)21)13(15(18)25-4)16(19)26-5/h6-7,10,13H,8H2,1-5H3/t10-/m0/s1