methyl 3,5-bis(iodanyl)-2-[(phenylmethyl)carbamoylamino]benzoate

Systemtic Name: methyl 3,5-bis(iodanyl)-2-[(phenylmethyl)carbamoylamino]benzoate Openeye Name: methyl 2-(benzylcarbamoylamino)-3,5-diiodo-benzoate CAS Name: 3,5-diiodo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-(benzylcarbamoylamino)-3,5-diiodobenzoate Traditional Name: 2-(benzylcarbamoylamino)-3,5-diiodo-benzoic acid methyl ester Formula: C16H14I2N2O3 MolecularWeight: 536.1029

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1NC(=O)NCC2=CC=CC=C2)I)I

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1NC(=O)NCC2=CC=CC=C2)I)I

InChI

InChI=1S/C16H14I2N2O3/c1-23-15(21)12-7-11(17)8-13(18)14(12)20-16(22)19-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H2,19,20,22)