5-[1-[[3,5-bis(bromanyl)-6-methyl-pyridin-2-yl]amino]-2-oxidanyl-2-oxidanylidene-ethyl]-2-methyl-furan-3-carboxylic acid

Systemtic Name: 5-[1-[[3,5-bis(bromanyl)-6-methyl-pyridin-2-yl]amino]-2-oxidanyl-2-oxidanylidene-ethyl]-2-methyl-furan-3-carboxylic acid Openeye Name: 5-[1-[(3,5-dibromo-6-methyl-2-pyridyl)amino]-2-hydroxy-2-oxo-ethyl]-2-methyl-furan-3-carboxylic acid CAS Name: 5-[1-[(3,5-dibromo-6-methyl-2-pyridinyl)amino]-2-hydroxy-2-oxoethyl]-2-methyl-3-furancarboxylic acid IUPAC Name: 5-[1-[(3,5-dibromo-6-methylpyridin-2-yl)amino]-2-hydroxy-2-oxoethyl]-2-methylfuran-3-carboxylic acid Traditional Name: 5-[1-[(3,5-dibromo-6-methyl-2-pyridyl)amino]-2-hydroxy-2-keto-ethyl]-2-methyl-3-furoic acid Formula: C14H12Br2N2O5 MolecularWeight: 448.06348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(C(=O)O)NC2=C(C=C(C(=N2)C)Br)Br)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)C(C(=O)O)NC2=C(C=C(C(=N2)C)Br)Br)C(=O)O

InChI

InChI=1S/C14H12Br2N2O5/c1-5-8(15)4-9(16)12(17-5)18-11(14(21)22)10-3-7(13(19)20)6(2)23-10/h3-4,11H,1-2H3,(H,17,18)(H,19,20)(H,21,22)