2-[[5-[(4-nitrophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-[(4-nitrophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-[(4-nitrophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[(4-nitrophenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]acetic acid IUPAC Name: 2-[[5-[(4-nitrophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[(4-nitrophenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]acetic acid Formula: C11H9N3O6S MolecularWeight: 311.27066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OCC2=NN=C(O2)SCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OCC2=NN=C(O2)SCC(=O)O

InChI

InChI=1S/C11H9N3O6S/c15-10(16)6-21-11-13-12-9(20-11)5-19-8-3-1-7(2-4-8)14(17)18/h1-4H,5-6H2,(H,15,16)