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

Systemtic Name: ethyl 4-[[5-iodanyl-2-(pyridin-3-ylcarbonylamino)phenyl]carbonylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 4-[[5-iodo-2-(pyridine-3-carbonylamino)benzoyl]amino]benzoate Traditional Name: 4-[(5-iodo-2-nicotinamido-benzoyl)amino]benzoic acid ethyl ester Formula: C22H18IN3O4 MolecularWeight: 515.30049

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18IN3O4/c1-2-30-22(29)14-5-8-17(9-6-14)25-21(28)18-12-16(23)7-10-19(18)26-20(27)15-4-3-11-24-13-15/h3-13H,2H2,1H3,(H,25,28)(H,26,27)