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

Systemtic Name: 5-azanyl-2,4,6-tris(iodanyl)-N1,N3-bis(2-oxidanylpropyl)benzene-1,3-dicarboxamide Openeye Name: 5-amino-N1,N3-bis(2-hydroxypropyl)-2,4,6-triiodo-benzene-1,3-dicarboxamide CAS Name: 5-amino-N1,N3-bis(2-hydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide IUPAC Name: 5-amino-1-N,3-N-bis(2-hydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide Traditional Name: 5-amino-N,N'-bis(2-hydroxypropyl)-2,4,6-triiodo-isophthalamide Formula: C14H18I3N3O4 MolecularWeight: 673.02383

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=C(C(=C(C(=C1I)N)I)C(=O)NCC(C)O)I)O

Isomeric SMILES

CC(CNC(=O)C1=C(C(=C(C(=C1I)N)I)C(=O)NCC(C)O)I)O

InChI

InChI=1S/C14H18I3N3O4/c1-5(21)3-19-13(23)7-9(15)8(11(17)12(18)10(7)16)14(24)20-4-6(2)22/h5-6,21-22H,3-4,18H2,1-2H3,(H,19,23)(H,20,24)