[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H19FN4O5 MolecularWeight: 426.397763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C21H19FN4O5/c22-16-7-4-14(5-8-16)20-23-19(31-24-20)13-30-21(27)15-6-9-17(18(12-15)26(28)29)25-10-2-1-3-11-25/h4-9,12H,1-3,10-11,13H2