(3-iodanylphenyl) 4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate

Systemtic Name: (3-iodanylphenyl) 4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate Openeye Name: (3-iodophenyl) 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate CAS Name: 4-(2-oxo-1,3-benzoxazol-3-yl)butanoic acid (3-iodophenyl) ester IUPAC Name: (3-iodophenyl) 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate Traditional Name: 4-(2-keto-1,3-benzoxazol-3-yl)butyric acid (3-iodophenyl) ester Formula: C17H14INO4 MolecularWeight: 423.20183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)O2)CCCC(=O)OC3=CC(=CC=C3)I

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)O2)CCCC(=O)OC3=CC(=CC=C3)I

InChI

InChI=1S/C17H14INO4/c18-12-5-3-6-13(11-12)22-16(20)9-4-10-19-14-7-1-2-8-15(14)23-17(19)21/h1-3,5-8,11H,4,9-10H2