3-azanyl-5-(hydroxymethyl)-2,4,6-tris(iodanyl)-N-[1,3,4-tris(oxidanyl)butan-2-yl]benzamide

Systemtic Name: 3-azanyl-5-(hydroxymethyl)-2,4,6-tris(iodanyl)-N-[1,3,4-tris(oxidanyl)butan-2-yl]benzamide Openeye Name: 3-amino-N-[2,3-dihydroxy-1-(hydroxymethyl)propyl]-5-(hydroxymethyl)-2,4,6-triiodo-benzamide CAS Name: 3-amino-5-(hydroxymethyl)-2,4,6-triiodo-N-(1,3,4-trihydroxybutan-2-yl)benzamide IUPAC Name: 3-amino-5-(hydroxymethyl)-2,4,6-triiodo-N-(1,3,4-trihydroxybutan-2-yl)benzamide Traditional Name: 3-amino-N-(2,3-dihydroxy-1-methylol-propyl)-2,4,6-triiodo-5-methylol-benzamide Formula: C12H15I3N2O5 MolecularWeight: 647.97131

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15I3N2O5/c13-8-4(1-18)9(14)11(16)10(15)7(8)12(22)17-5(2-19)6(21)3-20/h5-6,18-21H,1-3,16H2,(H,17,22)