3-azanyl-2,4,6-tris(iodanyl)-5-(3-oxidanylidenebutan-2-ylamino)benzoic acid

Systemtic Name: 3-azanyl-2,4,6-tris(iodanyl)-5-(3-oxidanylidenebutan-2-ylamino)benzoic acid Openeye Name: 3-amino-2,4,6-triiodo-5-[(1-methyl-2-oxo-propyl)amino]benzoic acid CAS Name: 3-amino-2,4,6-triiodo-5-(3-oxobutan-2-ylamino)benzoic acid IUPAC Name: 3-amino-2,4,6-triiodo-5-(3-oxobutan-2-ylamino)benzoic acid Traditional Name: 3-amino-2,4,6-triiodo-5-[(2-keto-1-methyl-propyl)amino]benzoic acid Formula: C11H11I3N2O3 MolecularWeight: 599.93005

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)NC1=C(C(=C(C(=C1I)N)I)C(=O)O)I

Isomeric SMILES

CC(C(=O)C)NC1=C(C(=C(C(=C1I)N)I)C(=O)O)I

InChI

InChI=1S/C11H11I3N2O3/c1-3(4(2)17)16-10-7(13)5(11(18)19)6(12)9(15)8(10)14/h3,16H,15H2,1-2H3,(H,18,19)