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. 2019 Sep 6;123(38):8226–8233. doi: 10.1021/acs.jpca.9b06858

Scheme 1. Schematic Showing Neutral (a) trans-Indigo and (b) Isoindigo.

Scheme 1

Isoindigo is a structural isomer of indigo and has a 5-membered cyclic amide (γ-lactam) arrangement. Oxygen atoms are identical (O1 = O2) in both isomers. DFT optimized structures are also shown with important bond distances (in Å) indicated.