[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl] 3-iodanylbenzoate

Systemtic Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl] 3-iodanylbenzoate Openeye Name: [2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl] ester Formula: C13H11IN2O4 MolecularWeight: 386.14191

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11IN2O4/c1-8-5-11(16-20-8)15-12(17)7-19-13(18)9-3-2-4-10(14)6-9/h2-6H,7H2,1H3,(H,15,16,17)