(3R)-5-[(4-bromanyl-2-fluoranyl-phenyl)amino]-3-methyl-5-oxidanylidene-pentanoate

Systemtic Name: (3R)-5-[(4-bromanyl-2-fluoranyl-phenyl)amino]-3-methyl-5-oxidanylidene-pentanoate Openeye Name: (3R)-5-(4-bromo-2-fluoro-anilino)-3-methyl-5-oxo-pentanoate CAS Name: (3R)-5-(4-bromo-2-fluoroanilino)-3-methyl-5-oxopentanoate IUPAC Name: (3R)-5-(4-bromo-2-fluoroanilino)-3-methyl-5-oxopentanoate Traditional Name: (3R)-5-(4-bromo-2-fluoro-anilino)-5-keto-3-methyl-valerate Formula: C12H12BrFNO3- MolecularWeight: 317.130983

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=C(C=C(C=C1)Br)F)CC(=O)[O-]

Isomeric SMILES

C[C@H](CC(=O)NC1=C(C=C(C=C1)Br)F)CC(=O)[O-]

InChI

InChI=1S/C12H13BrFNO3/c1-7(5-12(17)18)4-11(16)15-10-3-2-8(13)6-9(10)14/h2-3,6-7H,4-5H2,1H3,(H,15,16)(H,17,18)/p-1/t7-/m1/s1