5-[(3-iodanylphenyl)amino]-3,3-dimethyl-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(3-iodanylphenyl)amino]-3,3-dimethyl-5-oxidanylidene-pentanoate Openeye Name: 5-(3-iodoanilino)-3,3-dimethyl-5-oxo-pentanoate CAS Name: 5-(3-iodoanilino)-3,3-dimethyl-5-oxopentanoate IUPAC Name: 5-(3-iodoanilino)-3,3-dimethyl-5-oxopentanoate Traditional Name: 5-(3-iodoanilino)-5-keto-3,3-dimethyl-valerate Formula: C13H15INO3- MolecularWeight: 360.16757

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NC1=CC(=CC=C1)I)CC(=O)[O-]

Isomeric SMILES

CC(C)(CC(=O)NC1=CC(=CC=C1)I)CC(=O)[O-]

InChI

InChI=1S/C13H16INO3/c1-13(2,8-12(17)18)7-11(16)15-10-5-3-4-9(14)6-10/h3-6H,7-8H2,1-2H3,(H,15,16)(H,17,18)/p-1