2-[3,5-bis(iodanyl)-4-oxidanylidene-pyridin-1-yl]ethanoic acid; N-ethylethanamine

Systemtic Name: 2-[3,5-bis(iodanyl)-4-oxidanylidene-pyridin-1-yl]ethanoic acid; N-ethylethanamine Openeye Name: 2-(3,5-diiodo-4-oxo-1-pyridyl)acetic acid; N-ethylethanamine CAS Name: 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetic acid; N-ethylethanamine IUPAC Name: 2-(3,5-diiodo-4-oxopyridin-1-yl)acetic acid; N-ethylethanamine Traditional Name: diethylamine; 2-(3,5-diiodo-4-keto-1-pyridyl)acetic acid Formula: C11H16I2N2O3 MolecularWeight: 478.06528

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.C1=C(C(=O)C(=CN1CC(=O)O)I)I

Isomeric SMILES

CCNCC.C1=C(C(=O)C(=CN1CC(=O)O)I)I

InChI

InChI=1S/C7H5I2NO3.C4H11N/c8-4-1-10(3-6(11)12)2-5(9)7(4)13;1-3-5-4-2/h1-2H,3H2,(H,11,12);5H,3-4H2,1-2H3