5-[[2,6-bis(fluoranyl)phenyl]amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[2,6-bis(fluoranyl)phenyl]amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-(2,6-difluoroanilino)-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-(2,6-difluoroanilino)-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-(2,6-difluoroanilino)-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-(2,6-difluoroanilino)-5-keto-3,3-dimethyl-valeric acid Formula: C13H15F2NO3 MolecularWeight: 271.259906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NC1=C(C=CC=C1F)F)CC(=O)O

Isomeric SMILES

CC(C)(CC(=O)NC1=C(C=CC=C1F)F)CC(=O)O

InChI

InChI=1S/C13H15F2NO3/c1-13(2,7-11(18)19)6-10(17)16-12-8(14)4-3-5-9(12)15/h3-5H,6-7H2,1-2H3,(H,16,17)(H,18,19)