methyl 2-[2-(5-bromanyl-2-oxidanylidene-pyridin-1-yl)ethanoylamino]-3-methyl-butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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