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3-[azanyl(propanoyl)amino]-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)benzoic acid

3-[azanyl(propanoyl)amino]-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)benzoic acid

Systemtic Name:3-[azanyl(propanoyl)amino]-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)benzoic acid
Openeye Name:3-[amino(propanoyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
CAS Name:3-[amino(1-oxopropyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
IUPAC Name:3-[amino(propanoyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
Traditional Name:3-[amino(propionyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
Formula: C12H12I3N3O4
MolecularWeight: 642.95479
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H12I3N3O4/c1-3-4(19)18(16)10-8(14)5(11(20)17-2)7(13)6(9(10)15)12(21)22/h3,16H2,1-2H3,(H,17,20)(H,21,22)


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