2-[[2-[(5-bromanylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]-(cyclopropylmethyl)amino]ethanoic acid

Systemtic Name: 2-[[2-[(5-bromanylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]-(cyclopropylmethyl)amino]ethanoic acid Openeye Name: 2-[[2-[(5-bromo-2-pyridyl)amino]-2-oxo-ethyl]-(cyclopropylmethyl)amino]acetic acid CAS Name: 2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid IUPAC Name: 2-[[2-[(5-bromopyridin-2-yl)amino]-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid Traditional Name: 2-[[2-[(5-bromo-2-pyridyl)amino]-2-keto-ethyl]-(cyclopropylmethyl)amino]acetic acid Formula: C13H16BrN3O3 MolecularWeight: 342.18844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN(CC(=O)NC2=NC=C(C=C2)Br)CC(=O)O

Isomeric SMILES

C1CC1CN(CC(=O)NC2=NC=C(C=C2)Br)CC(=O)O

InChI

InChI=1S/C13H16BrN3O3/c14-10-3-4-11(15-5-10)16-12(18)7-17(8-13(19)20)6-9-1-2-9/h3-5,9H,1-2,6-8H2,(H,19,20)(H,15,16,18)