[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1,3-benzodioxole-5-carboxylate

Systemtic Name: [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1,3-benzodioxole-5-carboxylate Openeye Name: [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H11FN2O5 MolecularWeight: 342.278043

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CC=C(C=C4)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CC=C(C=C4)F

InChI

InChI=1S/C17H11FN2O5/c18-12-4-1-10(2-5-12)16-19-15(25-20-16)8-22-17(21)11-3-6-13-14(7-11)24-9-23-13/h1-7H,8-9H2