methyl 4-[[5-iodanyl-2-(pyridin-3-ylcarbonylamino)phenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[5-iodanyl-2-(pyridin-3-ylcarbonylamino)phenyl]carbonylamino]benzoate Openeye Name: methyl 4-[[5-iodo-2-(pyridine-3-carbonylamino)benzoyl]amino]benzoate CAS Name: 4-[[[5-iodo-2-[[oxo(3-pyridinyl)methyl]amino]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-iodo-2-(pyridine-3-carbonylamino)benzoyl]amino]benzoate Traditional Name: 4-[(5-iodo-2-nicotinamido-benzoyl)amino]benzoic acid methyl ester Formula: C21H16IN3O4 MolecularWeight: 501.27391

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)I)NC(=O)C3=CN=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)I)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H16IN3O4/c1-29-21(28)13-4-7-16(8-5-13)24-20(27)17-11-15(22)6-9-18(17)25-19(26)14-3-2-10-23-12-14/h2-12H,1H3,(H,24,27)(H,25,26)