4-[[3,5-bis(trifluoromethyl)phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3,5-bis(trifluoromethyl)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3,5-bis(trifluoromethyl)anilino]-4-oxo-butanoic acid CAS Name: 4-[3,5-bis(trifluoromethyl)anilino]-4-oxobutanoic acid IUPAC Name: 4-[3,5-bis(trifluoromethyl)anilino]-4-oxobutanoic acid Traditional Name: 4-[3,5-bis(trifluoromethyl)anilino]-4-keto-butyric acid Formula: C12H9F6NO3 MolecularWeight: 329.195179

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9F6NO3/c13-11(14,15)6-3-7(12(16,17)18)5-8(4-6)19-9(20)1-2-10(21)22/h3-5H,1-2H2,(H,19,20)(H,21,22)