2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(5-iodanyl-1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(5-iodanyl-1H-indol-3-yl)propanoic acid Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-3-(5-iodo-1H-indol-3-yl)propanoic acid CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-(5-iodo-1H-indol-3-yl)propanoic acid IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-3-(5-iodo-1H-indol-3-yl)propanoic acid Traditional Name: 3-(5-iodo-1H-indol-3-yl)-2-phthalimido-propionic acid Formula: C19H13IN2O4 MolecularWeight: 460.22199

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C(CC3=CNC4=C3C=C(C=C4)I)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C(CC3=CNC4=C3C=C(C=C4)I)C(=O)O

InChI

InChI=1S/C19H13IN2O4/c20-11-5-6-15-14(8-11)10(9-21-15)7-16(19(25)26)22-17(23)12-3-1-2-4-13(12)18(22)24/h1-6,8-9,16,21H,7H2,(H,25,26)