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

Systemtic Name: diethyl 2-acetamido-2-[1-(4-fluorophenyl)-2-nitro-ethyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[1-(4-fluorophenyl)-2-nitro-ethyl]propanedioate CAS Name: 2-acetamido-2-[1-(4-fluorophenyl)-2-nitroethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[1-(4-fluorophenyl)-2-nitroethyl]propanedioate Traditional Name: 2-acetamido-2-[1-(4-fluorophenyl)-2-nitro-ethyl]malonic acid diethyl ester Formula: C17H21FN2O7 MolecularWeight: 384.356243

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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)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C17H21FN2O7/c1-4-26-15(22)17(19-11(3)21,16(23)27-5-2)14(10-20(24)25)12-6-8-13(18)9-7-12/h6-9,14H,4-5,10H2,1-3H3,(H,19,21)