5-(4-chloranyl-3-nitro-phenyl)-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazole

Systemtic Name: 5-(4-chloranyl-3-nitro-phenyl)-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazole Openeye Name: 3-(4-benzyloxyphenyl)-5-(4-chloro-3-nitro-phenyl)-1,2,4-oxadiazole CAS Name: 5-(4-chloro-3-nitrophenyl)-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazole IUPAC Name: 5-(4-chloro-3-nitrophenyl)-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazole Traditional Name: 3-(4-benzoxyphenyl)-5-(4-chloro-3-nitro-phenyl)-1,2,4-oxadiazole Formula: C21H14ClN3O4 MolecularWeight: 407.80656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NOC(=N3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NOC(=N3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H14ClN3O4/c22-18-11-8-16(12-19(18)25(26)27)21-23-20(24-29-21)15-6-9-17(10-7-15)28-13-14-4-2-1-3-5-14/h1-12H,13H2