2-[4-[2-[(5-bromanylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2-[(5-bromanylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-[(5-bromo-2-pyridyl)amino]-2-oxo-ethyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-[(5-bromopyridin-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-[(5-bromo-2-pyridyl)amino]-2-keto-ethyl]piperazino]acetic acid Formula: C13H17BrN4O3 MolecularWeight: 357.20308

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=NC=C(C=C2)Br)CC(=O)O

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=NC=C(C=C2)Br)CC(=O)O

InChI

InChI=1S/C13H17BrN4O3/c14-10-1-2-11(15-7-10)16-12(19)8-17-3-5-18(6-4-17)9-13(20)21/h1-2,7H,3-6,8-9H2,(H,20,21)(H,15,16,19)