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

Systemtic Name: dimethyl 2-chloranyl-2-[(1S)-2-nitro-1-phenyl-ethyl]propanedioate Openeye Name: dimethyl 2-chloro-2-[(1S)-2-nitro-1-phenyl-ethyl]propanedioate CAS Name: 2-chloro-2-[(1S)-2-nitro-1-phenylethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-chloro-2-[(1S)-2-nitro-1-phenylethyl]propanedioate Traditional Name: 2-chloro-2-[(1S)-2-nitro-1-phenyl-ethyl]malonic acid dimethyl ester Formula: C13H14ClNO6 MolecularWeight: 315.70636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClNO6/c1-20-11(16)13(14,12(17)21-2)10(8-15(18)19)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3/t10-/m1/s1