5-ethyl-2-[4-(1-iodanylpropan-2-yl)-4-methyl-5-oxidanylidene-1H-imidazol-2-yl]pyridine-3-carboxylic acid

Systemtic Name: 5-ethyl-2-[4-(1-iodanylpropan-2-yl)-4-methyl-5-oxidanylidene-1H-imidazol-2-yl]pyridine-3-carboxylic acid Openeye Name: 5-ethyl-2-[4-(2-iodo-1-methyl-ethyl)-4-methyl-5-oxo-1H-imidazol-2-yl]pyridine-3-carboxylic acid CAS Name: 5-ethyl-2-[4-(1-iodopropan-2-yl)-4-methyl-5-oxo-1H-imidazol-2-yl]-3-pyridinecarboxylic acid IUPAC Name: 5-ethyl-2-[4-(1-iodopropan-2-yl)-4-methyl-5-oxo-1H-imidazol-2-yl]pyridine-3-carboxylic acid Traditional Name: 5-ethyl-2-[4-(2-iodo-1-methyl-ethyl)-5-keto-4-methyl-2-imidazolin-2-yl]nicotinic acid Formula: C15H18IN3O3 MolecularWeight: 415.22619

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C(=C1)C(=O)O)C2=NC(C(=O)N2)(C)C(C)CI

Isomeric SMILES

CCC1=CN=C(C(=C1)C(=O)O)C2=NC(C(=O)N2)(C)C(C)CI

InChI

InChI=1S/C15H18IN3O3/c1-4-9-5-10(13(20)21)11(17-7-9)12-18-14(22)15(3,19-12)8(2)6-16/h5,7-8H,4,6H2,1-3H3,(H,20,21)(H,18,19,22)