methyl 4-[[(5-azanyl-2-iodanyl-pyridin-4-yl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[(5-azanyl-2-iodanyl-pyridin-4-yl)carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[(5-amino-2-iodo-pyridine-4-carbonyl)amino]methyl]benzoate CAS Name: 4-[[[(5-amino-2-iodo-4-pyridinyl)-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(5-amino-2-iodopyridine-4-carbonyl)amino]methyl]benzoate Traditional Name: 4-[[(5-amino-2-iodo-isonicotinoyl)amino]methyl]benzoic acid methyl ester Formula: C15H14IN3O3 MolecularWeight: 411.19443

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC(=NC=C2N)I

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC(=NC=C2N)I

InChI

InChI=1S/C15H14IN3O3/c1-22-15(21)10-4-2-9(3-5-10)7-19-14(20)11-6-13(16)18-8-12(11)17/h2-6,8H,7,17H2,1H3,(H,19,20)