5-[1-[(4-bromanyl-2-chloranyl-phenyl)amino]-2-oxidanyl-2-oxidanylidene-ethyl]-2-methyl-furan-3-carboxylic acid

Systemtic Name: 5-[1-[(4-bromanyl-2-chloranyl-phenyl)amino]-2-oxidanyl-2-oxidanylidene-ethyl]-2-methyl-furan-3-carboxylic acid Openeye Name: 5-[1-(4-bromo-2-chloro-anilino)-2-hydroxy-2-oxo-ethyl]-2-methyl-furan-3-carboxylic acid CAS Name: 5-[1-(4-bromo-2-chloroanilino)-2-hydroxy-2-oxoethyl]-2-methyl-3-furancarboxylic acid IUPAC Name: 5-[1-(4-bromo-2-chloroanilino)-2-hydroxy-2-oxoethyl]-2-methylfuran-3-carboxylic acid Traditional Name: 5-[1-(4-bromo-2-chloro-anilino)-2-hydroxy-2-keto-ethyl]-2-methyl-3-furoic acid Formula: C14H11BrClNO5 MolecularWeight: 388.59784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(C(=O)O)NC2=C(C=C(C=C2)Br)Cl)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)C(C(=O)O)NC2=C(C=C(C=C2)Br)Cl)C(=O)O

InChI

InChI=1S/C14H11BrClNO5/c1-6-8(13(18)19)5-11(22-6)12(14(20)21)17-10-3-2-7(15)4-9(10)16/h2-5,12,17H,1H3,(H,18,19)(H,20,21)