3-(furan-2-ylmethylsulfonylmethyl)-5-[2-(4-methoxyphenoxy)-5-nitro-phenyl]-1,2,4-oxadiazole

Systemtic Name: 3-(furan-2-ylmethylsulfonylmethyl)-5-[2-(4-methoxyphenoxy)-5-nitro-phenyl]-1,2,4-oxadiazole Openeye Name: 3-(2-furylmethylsulfonylmethyl)-5-[2-(4-methoxyphenoxy)-5-nitro-phenyl]-1,2,4-oxadiazole CAS Name: 3-(2-furanylmethylsulfonylmethyl)-5-[2-(4-methoxyphenoxy)-5-nitrophenyl]-1,2,4-oxadiazole IUPAC Name: 3-(furan-2-ylmethylsulfonylmethyl)-5-[2-(4-methoxyphenoxy)-5-nitrophenyl]-1,2,4-oxadiazole Traditional Name: 3-(2-furfurylsulfonylmethyl)-5-[2-(4-methoxyphenoxy)-5-nitro-phenyl]-1,2,4-oxadiazole Formula: C21H17N3O8S MolecularWeight: 471.43998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C3=NC(=NO3)CS(=O)(=O)CC4=CC=CO4

Isomeric SMILES

COC1=CC=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C3=NC(=NO3)CS(=O)(=O)CC4=CC=CO4

InChI

InChI=1S/C21H17N3O8S/c1-29-15-5-7-16(8-6-15)31-19-9-4-14(24(25)26)11-18(19)21-22-20(23-32-21)13-33(27,28)12-17-3-2-10-30-17/h2-11H,12-13H2,1H3