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

Systemtic Name: diethyl 2-acetamido-2-[1-(4-fluorophenyl)-2-nitro-propyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[1-(4-fluorophenyl)-2-nitro-propyl]propanedioate CAS Name: 2-acetamido-2-[1-(4-fluorophenyl)-2-nitropropyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[1-(4-fluorophenyl)-2-nitropropyl]propanedioate Traditional Name: 2-acetamido-2-[1-(4-fluorophenyl)-2-nitro-propyl]malonic acid diethyl ester Formula: C18H23FN2O7 MolecularWeight: 398.382823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23FN2O7/c1-5-27-16(23)18(20-12(4)22,17(24)28-6-2)15(11(3)21(25)26)13-7-9-14(19)10-8-13/h7-11,15H,5-6H2,1-4H3,(H,20,22)