2-[[5-(4-methoxy-3-nitro-phenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(O2)SCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(O2)SCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H9N3O6S/c1-19-8-3-2-6(4-7(8)14(17)18)10-12-13-11(20-10)21-5-9(15)16/h2-4H,5H2,1H3,(H,15,16)