3-[4-(4-chloranyl-2-oxidanyl-phenoxy)-3-nitro-phenyl]-1,2,4-oxadiazole-5-carboxylic acid

Systemtic Name: 3-[4-(4-chloranyl-2-oxidanyl-phenoxy)-3-nitro-phenyl]-1,2,4-oxadiazole-5-carboxylic acid Openeye Name: 3-[4-(4-chloro-2-hydroxy-phenoxy)-3-nitro-phenyl]-1,2,4-oxadiazole-5-carboxylic acid CAS Name: 3-[4-(4-chloro-2-hydroxyphenoxy)-3-nitrophenyl]-1,2,4-oxadiazole-5-carboxylic acid IUPAC Name: 3-[4-(4-chloro-2-hydroxyphenoxy)-3-nitrophenyl]-1,2,4-oxadiazole-5-carboxylic acid Traditional Name: 3-[4-(4-chloro-2-hydroxy-phenoxy)-3-nitro-phenyl]-1,2,4-oxadiazole-5-carboxylic acid Formula: C15H8ClN3O7 MolecularWeight: 377.69292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=NOC(=N2)C(=O)O)[N+](=O)[O-])OC3=C(C=C(C=C3)Cl)O

Isomeric SMILES

C1=CC(=C(C=C1C2=NOC(=N2)C(=O)O)[N+](=O)[O-])OC3=C(C=C(C=C3)Cl)O

InChI

InChI=1S/C15H8ClN3O7/c16-8-2-4-12(10(20)6-8)25-11-3-1-7(5-9(11)19(23)24)13-17-14(15(21)22)26-18-13/h1-6,20H,(H,21,22)