[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate

Systemtic Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate Openeye Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-ethyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [2-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [2-[4-(2-fluorobenzyl)piperazino]-2-keto-ethyl] ester Formula: C18H18FN3O6 MolecularWeight: 391.350423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2F)C(=O)COC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2F)C(=O)COC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C18H18FN3O6/c19-14-4-2-1-3-13(14)11-20-7-9-21(10-8-20)16(23)12-27-18(24)15-5-6-17(28-15)22(25)26/h1-6H,7-12H2