5-[[3,5-bis(trifluoromethyl)phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[3,5-bis(trifluoromethyl)phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3,5-bis(trifluoromethyl)anilino]-5-oxo-pentanoic acid CAS Name: 5-[3,5-bis(trifluoromethyl)anilino]-5-oxopentanoic acid IUPAC Name: 5-[3,5-bis(trifluoromethyl)anilino]-5-oxopentanoic acid Traditional Name: 5-[3,5-bis(trifluoromethyl)anilino]-5-keto-valeric acid Formula: C13H11F6NO3 MolecularWeight: 343.221759

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)NC(=O)CCCC(=O)O)C(F)(F)F

Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)NC(=O)CCCC(=O)O)C(F)(F)F

InChI

InChI=1S/C13H11F6NO3/c14-12(15,16)7-4-8(13(17,18)19)6-9(5-7)20-10(21)2-1-3-11(22)23/h4-6H,1-3H2,(H,20,21)(H,22,23)