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

Systemtic Name: 2-[[5-(4-chloranyl-2-nitro-phenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(4-chloro-2-nitro-phenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(4-chloro-2-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]acetic acid IUPAC Name: 2-[[5-(4-chloro-2-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(4-chloro-2-nitro-phenyl)-1,3,4-oxadiazol-2-yl]thio]acetic acid Formula: C10H6ClN3O5S MolecularWeight: 315.68974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)[N+](=O)[O-])C2=NN=C(O2)SCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)[N+](=O)[O-])C2=NN=C(O2)SCC(=O)O

InChI

InChI=1S/C10H6ClN3O5S/c11-5-1-2-6(7(3-5)14(17)18)9-12-13-10(19-9)20-4-8(15)16/h1-3H,4H2,(H,15,16)