2,4,6-tris(iodanyl)-5-[(2-methoxy-2-oxidanylidene-ethyl)carbamoylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 2,4,6-tris(iodanyl)-5-[(2-methoxy-2-oxidanylidene-ethyl)carbamoylamino]benzene-1,3-dicarboxylic acid Openeye Name: 2,4,6-triiodo-5-[(2-methoxy-2-oxo-ethyl)carbamoylamino]benzene-1,3-dicarboxylic acid CAS Name: 2,4,6-triiodo-5-[[[(2-methoxy-2-oxoethyl)amino]-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 2,4,6-triiodo-5-[(2-methoxy-2-oxoethyl)carbamoylamino]benzene-1,3-dicarboxylic acid Traditional Name: 2,4,6-triiodo-5-[(2-keto-2-methoxy-ethyl)carbamoylamino]isophthalic acid Formula: C12H9I3N2O7 MolecularWeight: 673.92247

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)O)I

Isomeric SMILES

COC(=O)CNC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)O)I

InChI

InChI=1S/C12H9I3N2O7/c1-24-3(18)2-16-12(23)17-9-7(14)4(10(19)20)6(13)5(8(9)15)11(21)22/h2H2,1H3,(H,19,20)(H,21,22)(H2,16,17,23)