dimethyl 2-[(1S)-1-(2-hydroxyphenyl)-2-nitro-ethyl]propanedioate

Systemtic Name: dimethyl 2-[(1S)-1-(2-hydroxyphenyl)-2-nitro-ethyl]propanedioate Openeye Name: dimethyl 2-[(1S)-1-(2-hydroxyphenyl)-2-nitro-ethyl]propanedioate CAS Name: 2-[(1S)-1-(2-hydroxyphenyl)-2-nitroethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1S)-1-(2-hydroxyphenyl)-2-nitroethyl]propanedioate Traditional Name: 2-[(1S)-1-(2-hydroxyphenyl)-2-nitro-ethyl]malonic acid dimethyl ester Formula: C13H15NO7 MolecularWeight: 297.2607

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C[N+](=O)[O-])C1=CC=CC=C1O)C(=O)OC

Isomeric SMILES

COC(=O)C([C@H](C[N+](=O)[O-])C1=CC=CC=C1O)C(=O)OC

InChI

InChI=1S/C13H15NO7/c1-20-12(16)11(13(17)21-2)9(7-14(18)19)8-5-3-4-6-10(8)15/h3-6,9,11,15H,7H2,1-2H3/t9-/m1/s1