2,4,6-tris(iodanyl)-3-[3-(prop-2-enoylamino)propanoylamino]benzoic acid

Systemtic Name: 2,4,6-tris(iodanyl)-3-[3-(prop-2-enoylamino)propanoylamino]benzoic acid Openeye Name: 2,4,6-triiodo-3-[3-(prop-2-enoylamino)propanoylamino]benzoic acid CAS Name: 2,4,6-triiodo-3-[[1-oxo-3-(1-oxoprop-2-enylamino)propyl]amino]benzoic acid IUPAC Name: 2,4,6-triiodo-3-[3-(prop-2-enoylamino)propanoylamino]benzoic acid Traditional Name: 3-(3-acrylamidopropanoylamino)-2,4,6-triiodo-benzoic acid Formula: C13H11I3N2O4 MolecularWeight: 639.95085

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NCCC(=O)NC1=C(C=C(C(=C1I)C(=O)O)I)I

Isomeric SMILES

C=CC(=O)NCCC(=O)NC1=C(C=C(C(=C1I)C(=O)O)I)I

InChI

InChI=1S/C13H11I3N2O4/c1-2-8(19)17-4-3-9(20)18-12-7(15)5-6(14)10(11(12)16)13(21)22/h2,5H,1,3-4H2,(H,17,19)(H,18,20)(H,21,22)