(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-iodanylbenzoate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-iodanylbenzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 4-iodobenzoate CAS Name: 4-iodobenzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-iodobenzoate Traditional Name: 4-iodobenzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C13H12INO3 MolecularWeight: 357.14375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)C2=CC=C(C=C2)I

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C13H12INO3/c1-8-12(9(2)18-15-8)7-17-13(16)10-3-5-11(14)6-4-10/h3-6H,7H2,1-2H3