(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-iodanylbenzoate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-iodanylbenzoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-iodobenzoate CAS Name: 3-iodobenzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-iodobenzoate Traditional Name: 3-iodobenzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C16H11IN2O3 MolecularWeight: 406.17461

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC(=CC=C3)I

Isomeric SMILES

C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC(=CC=C3)I

InChI

InChI=1S/C16H11IN2O3/c17-13-8-4-7-12(9-13)16(20)21-10-14-18-15(19-22-14)11-5-2-1-3-6-11/h1-9H,10H2