2-[4-[(4-iodophenyl)methyl]-3,6-bis(oxidanylidene)piperazin-2-yl]ethanoic acid

Systemtic Name: 2-[4-[(4-iodophenyl)methyl]-3,6-bis(oxidanylidene)piperazin-2-yl]ethanoic acid Openeye Name: 2-[4-[(4-iodophenyl)methyl]-3,6-dioxo-piperazin-2-yl]acetic acid CAS Name: 2-[4-[(4-iodophenyl)methyl]-3,6-dioxo-2-piperazinyl]acetic acid IUPAC Name: 2-[4-[(4-iodophenyl)methyl]-3,6-dioxopiperazin-2-yl]acetic acid Traditional Name: 2-[4-(4-iodobenzyl)-3,6-diketo-piperazin-2-yl]acetic acid Formula: C13H13IN2O4 MolecularWeight: 388.15779

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC(C(=O)N1CC2=CC=C(C=C2)I)CC(=O)O

Isomeric SMILES

C1C(=O)NC(C(=O)N1CC2=CC=C(C=C2)I)CC(=O)O

InChI

InChI=1S/C13H13IN2O4/c14-9-3-1-8(2-4-9)6-16-7-11(17)15-10(13(16)20)5-12(18)19/h1-4,10H,5-7H2,(H,15,17)(H,18,19)