5-azanyl-N1,N3-bis(2-hydroxyethyl)-2,4,6-tris(iodanyl)benzene-1,3-dicarboxamide

Systemtic Name: 5-azanyl-N1,N3-bis(2-hydroxyethyl)-2,4,6-tris(iodanyl)benzene-1,3-dicarboxamide Openeye Name: 5-amino-N1,N3-bis(2-hydroxyethyl)-2,4,6-triiodo-benzene-1,3-dicarboxamide CAS Name: 5-amino-N1,N3-bis(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide IUPAC Name: 5-amino-1-N,3-N-bis(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide Traditional Name: 5-amino-N,N'-bis(2-hydroxyethyl)-2,4,6-triiodo-isophthalamide Formula: C12H14I3N3O4 MolecularWeight: 644.97067

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Descriptors Computed from Structure

Canonical SMILES:

C(CO)NC(=O)C1=C(C(=C(C(=C1I)N)I)C(=O)NCCO)I

Isomeric SMILES

C(CO)NC(=O)C1=C(C(=C(C(=C1I)N)I)C(=O)NCCO)I

InChI

InChI=1S/C12H14I3N3O4/c13-7-5(11(21)17-1-3-19)8(14)10(16)9(15)6(7)12(22)18-2-4-20/h19-20H,1-4,16H2,(H,17,21)(H,18,22)