5-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]-2-iodanyl-benzoic acid

Systemtic Name: 5-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]-2-iodanyl-benzoic acid Openeye Name: 5-[[2-(1,3-dioxoisoindolin-2-yl)acetyl]amino]-2-iodo-benzoic acid CAS Name: 5-[[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]-2-iodobenzoic acid IUPAC Name: 5-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-2-iodobenzoic acid Traditional Name: 2-iodo-5-[(2-phthalimidoacetyl)amino]benzoic acid Formula: C17H11IN2O5 MolecularWeight: 450.18411

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NC3=CC(=C(C=C3)I)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NC3=CC(=C(C=C3)I)C(=O)O

InChI

InChI=1S/C17H11IN2O5/c18-13-6-5-9(7-12(13)17(24)25)19-14(21)8-20-15(22)10-3-1-2-4-11(10)16(20)23/h1-7H,8H2,(H,19,21)(H,24,25)