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

Systemtic Name: [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)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 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C20H17FN4O5 MolecularWeight: 412.371183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NC(=NO3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NC(=NO3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H17FN4O5/c21-14-5-3-13(4-6-14)19-22-18(30-23-19)12-29-20(26)16-11-15(25(27)28)7-8-17(16)24-9-1-2-10-24/h3-8,11H,1-2,9-10,12H2