[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-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 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H10FN3O7 MolecularWeight: 387.275603

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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)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC3=NC(=NO3)C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C17H10FN3O7/c18-10-3-1-9(2-4-10)16-19-15(28-20-16)7-25-17(22)11-5-13-14(27-8-26-13)6-12(11)21(23)24/h1-6H,7-8H2