4-[(5-bromanyl-2-fluoranyl-phenyl)amino]-2,2-diethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(5-bromanyl-2-fluoranyl-phenyl)amino]-2,2-diethyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(5-bromo-2-fluoro-anilino)-2,2-diethyl-4-oxo-butanoic acid CAS Name: 4-(5-bromo-2-fluoroanilino)-2,2-diethyl-4-oxobutanoic acid IUPAC Name: 4-(5-bromo-2-fluoroanilino)-2,2-diethyl-4-oxobutanoic acid Traditional Name: 4-(5-bromo-2-fluoro-anilino)-2,2-diethyl-4-keto-butyric acid Formula: C14H17BrFNO3 MolecularWeight: 346.192083

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC(=O)NC1=C(C=CC(=C1)Br)F)C(=O)O

Isomeric SMILES

CCC(CC)(CC(=O)NC1=C(C=CC(=C1)Br)F)C(=O)O

InChI

InChI=1S/C14H17BrFNO3/c1-3-14(4-2,13(19)20)8-12(18)17-11-7-9(15)5-6-10(11)16/h5-7H,3-4,8H2,1-2H3,(H,17,18)(H,19,20)