2-[2-(5-bromanyl-2-oxidanylidene-pyridin-1-yl)ethanoylamino]-3,3-dimethyl-butanoic acid

Systemtic Name: 2-[2-(5-bromanyl-2-oxidanylidene-pyridin-1-yl)ethanoylamino]-3,3-dimethyl-butanoic acid Openeye Name: 2-[[2-(5-bromo-2-oxo-1-pyridyl)acetyl]amino]-3,3-dimethyl-butanoic acid CAS Name: 2-[[2-(5-bromo-2-oxo-1-pyridinyl)-1-oxoethyl]amino]-3,3-dimethylbutanoic acid IUPAC Name: 2-[[2-(5-bromo-2-oxopyridin-1-yl)acetyl]amino]-3,3-dimethylbutanoic acid Traditional Name: 2-[[2-(5-bromo-2-keto-1-pyridyl)acetyl]amino]-3,3-dimethyl-butyric acid Formula: C13H17BrN2O4 MolecularWeight: 345.18908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)O)NC(=O)CN1C=C(C=CC1=O)Br

Isomeric SMILES

CC(C)(C)C(C(=O)O)NC(=O)CN1C=C(C=CC1=O)Br

InChI

InChI=1S/C13H17BrN2O4/c1-13(2,3)11(12(19)20)15-9(17)7-16-6-8(14)4-5-10(16)18/h4-6,11H,7H2,1-3H3,(H,15,17)(H,19,20)