diethyl 2-[(1S)-1-(4-fluorophenyl)-2-nitro-ethyl]propanedioate

Systemtic Name: diethyl 2-[(1S)-1-(4-fluorophenyl)-2-nitro-ethyl]propanedioate Openeye Name: diethyl 2-[(1S)-1-(4-fluorophenyl)-2-nitro-ethyl]propanedioate CAS Name: 2-[(1S)-1-(4-fluorophenyl)-2-nitroethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(1S)-1-(4-fluorophenyl)-2-nitroethyl]propanedioate Traditional Name: 2-[(1S)-1-(4-fluorophenyl)-2-nitro-ethyl]malonic acid diethyl ester Formula: C15H18FNO6 MolecularWeight: 327.304923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC=C(C=C1)F)C(=O)OCC

Isomeric SMILES

CCOC(=O)C([C@H](C[N+](=O)[O-])C1=CC=C(C=C1)F)C(=O)OCC

InChI

InChI=1S/C15H18FNO6/c1-3-22-14(18)13(15(19)23-4-2)12(9-17(20)21)10-5-7-11(16)8-6-10/h5-8,12-13H,3-4,9H2,1-2H3/t12-/m1/s1