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

Systemtic Name: [3-[(4-fluoranylphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(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 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-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)C(=O)OCC3=NC(=NO3)COC4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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