2-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoylamino]ethanoate

Systemtic Name: 2-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoylamino]ethanoate Openeye Name: 2-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]acetate CAS Name: 2-[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxoethyl]amino]acetate IUPAC Name: 2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]acetate Traditional Name: 2-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]acetate Formula: C12H13BrNO4- MolecularWeight: 315.13992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NCC(=O)[O-])C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NCC(=O)[O-])C)Br

InChI

InChI=1S/C12H14BrNO4/c1-7-3-9(13)4-8(2)12(7)18-6-10(15)14-5-11(16)17/h3-4H,5-6H2,1-2H3,(H,14,15)(H,16,17)/p-1