dimethyl (3R)-3-[(1S)-1-(2-methoxyphenyl)-2-nitro-ethyl]-2-oxidanylidene-pentanedioate

Systemtic Name: dimethyl (3R)-3-[(1S)-1-(2-methoxyphenyl)-2-nitro-ethyl]-2-oxidanylidene-pentanedioate Openeye Name: dimethyl (3R)-3-[(1S)-1-(2-methoxyphenyl)-2-nitro-ethyl]-2-oxo-pentanedioate CAS Name: (3R)-3-[(1S)-1-(2-methoxyphenyl)-2-nitroethyl]-2-oxopentanedioic acid dimethyl ester IUPAC Name: dimethyl (3R)-3-[(1S)-1-(2-methoxyphenyl)-2-nitroethyl]-2-oxopentanedioate Traditional Name: (3R)-2-keto-3-[(1S)-1-(2-methoxyphenyl)-2-nitro-ethyl]glutaric acid dimethyl ester Formula: C16H19NO8 MolecularWeight: 353.32396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C[N+](=O)[O-])C(CC(=O)OC)C(=O)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO8/c1-23-13-7-5-4-6-10(13)12(9-17(21)22)11(8-14(18)24-2)15(19)16(20)25-3/h4-7,11-12H,8-9H2,1-3H3/t11-,12-/m1/s1