5-[(4-chloranyl-2-fluoranyl-phenyl)amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(4-chloranyl-2-fluoranyl-phenyl)amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-(4-chloro-2-fluoro-anilino)-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-(4-chloro-2-fluoroanilino)-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-(4-chloro-2-fluoroanilino)-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-(4-chloro-2-fluoro-anilino)-5-keto-3,3-dimethyl-valeric acid Formula: C13H15ClFNO3 MolecularWeight: 287.714503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NC1=C(C=C(C=C1)Cl)F)CC(=O)O

Isomeric SMILES

CC(C)(CC(=O)NC1=C(C=C(C=C1)Cl)F)CC(=O)O

InChI

InChI=1S/C13H15ClFNO3/c1-13(2,7-12(18)19)6-11(17)16-10-4-3-8(14)5-9(10)15/h3-5H,6-7H2,1-2H3,(H,16,17)(H,18,19)