4-[[2-chloranyl-3,5-bis(trifluoromethyl)phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[2-chloranyl-3,5-bis(trifluoromethyl)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-chloro-3,5-bis(trifluoromethyl)anilino]-4-oxo-butanoic acid CAS Name: 4-[2-chloro-3,5-bis(trifluoromethyl)anilino]-4-oxobutanoic acid IUPAC Name: 4-[2-chloro-3,5-bis(trifluoromethyl)anilino]-4-oxobutanoic acid Traditional Name: 4-[2-chloro-3,5-bis(trifluoromethyl)anilino]-4-keto-butyric acid Formula: C12H8ClF6NO3 MolecularWeight: 363.640239

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8ClF6NO3/c13-10-6(12(17,18)19)3-5(11(14,15)16)4-7(10)20-8(21)1-2-9(22)23/h3-4H,1-2H2,(H,20,21)(H,22,23)