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

Systemtic Name: 5-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]-2-iodanyl-benzoic acid Openeye Name: 5-[3-(1,3-dioxoisoindolin-2-yl)propanoylamino]-2-iodo-benzoic acid CAS Name: 5-[[3-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]-2-iodobenzoic acid IUPAC Name: 5-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]-2-iodobenzoic acid Traditional Name: 2-iodo-5-(3-phthalimidopropanoylamino)benzoic acid Formula: C18H13IN2O5 MolecularWeight: 464.21069

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13IN2O5/c19-14-6-5-10(9-13(14)18(25)26)20-15(22)7-8-21-16(23)11-3-1-2-4-12(11)17(21)24/h1-6,9H,7-8H2,(H,20,22)(H,25,26)