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

Systemtic Name: ethyl 3-[4-(4-chloranyl-2-oxidanyl-phenoxy)-3-nitro-phenyl]-1,2,4-oxadiazole-5-carboxylate Openeye Name: ethyl 3-[4-(4-chloro-2-hydroxy-phenoxy)-3-nitro-phenyl]-1,2,4-oxadiazole-5-carboxylate CAS Name: 3-[4-(4-chloro-2-hydroxyphenoxy)-3-nitrophenyl]-1,2,4-oxadiazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(4-chloro-2-hydroxyphenoxy)-3-nitrophenyl]-1,2,4-oxadiazole-5-carboxylate Traditional Name: 3-[4-(4-chloro-2-hydroxy-phenoxy)-3-nitro-phenyl]-1,2,4-oxadiazole-5-carboxylic acid ethyl ester Formula: C17H12ClN3O7 MolecularWeight: 405.74608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=NO1)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)Cl)O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NC(=NO1)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)Cl)O)[N+](=O)[O-]

InChI

InChI=1S/C17H12ClN3O7/c1-2-26-17(23)16-19-15(20-28-16)9-3-5-13(11(7-9)21(24)25)27-14-6-4-10(18)8-12(14)22/h3-8,22H,2H2,1H3