2-[[3-azanyl-2,4,6-tris(iodanyl)phenyl]amino]-2-methyl-4-oxidanylidene-pentanoic acid

Systemtic Name: 2-[[3-azanyl-2,4,6-tris(iodanyl)phenyl]amino]-2-methyl-4-oxidanylidene-pentanoic acid Openeye Name: 2-(3-amino-2,4,6-triiodo-anilino)-2-methyl-4-oxo-pentanoic acid CAS Name: 2-(3-amino-2,4,6-triiodoanilino)-2-methyl-4-oxopentanoic acid IUPAC Name: 2-(3-amino-2,4,6-triiodoanilino)-2-methyl-4-oxopentanoic acid Traditional Name: 2-(3-amino-2,4,6-triiodo-anilino)-4-keto-2-methyl-valeric acid Formula: C12H13I3N2O3 MolecularWeight: 613.95663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13I3N2O3/c1-5(18)4-12(2,11(19)20)17-10-7(14)3-6(13)9(16)8(10)15/h3,17H,4,16H2,1-2H3,(H,19,20)