ethyl 4-[5-(3-iodanyl-5-nitro-phenyl)-1,3,4-oxadiazol-2-yl]benzoate

Systemtic Name: ethyl 4-[5-(3-iodanyl-5-nitro-phenyl)-1,3,4-oxadiazol-2-yl]benzoate Openeye Name: ethyl 4-[5-(3-iodo-5-nitro-phenyl)-1,3,4-oxadiazol-2-yl]benzoate CAS Name: 4-[5-(3-iodo-5-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-(3-iodo-5-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzoate Traditional Name: 4-[5-(3-iodo-5-nitro-phenyl)-1,3,4-oxadiazol-2-yl]benzoic acid ethyl ester Formula: C17H12IN3O5 MolecularWeight: 465.19875

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=NN=C(O2)C3=CC(=CC(=C3)I)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=NN=C(O2)C3=CC(=CC(=C3)I)[N+](=O)[O-]

InChI

InChI=1S/C17H12IN3O5/c1-2-25-17(22)11-5-3-10(4-6-11)15-19-20-16(26-15)12-7-13(18)9-14(8-12)21(23)24/h3-9H,2H2,1H3