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

Systemtic Name: [3-[(4-fluoranylphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [3-[(4-fluorophenoxy)methyl]-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-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid [3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H19FN4O6 MolecularWeight: 442.397163

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NC(=NO3)COC4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NC(=NO3)COC4=CC=C(C=C4)F

InChI

InChI=1S/C21H19FN4O6/c22-14-3-6-16(7-4-14)30-12-19-23-20(32-24-19)13-31-21(27)17-11-15(26(28)29)5-8-18(17)25-9-1-2-10-25/h3-8,11H,1-2,9-10,12-13H2