6-[(4-cyanophenyl)amino]-6-oxidanylidene-5-[2,2,2-tris(fluoranyl)ethanoylamino]hexanoic acid

Systemtic Name: 6-[(4-cyanophenyl)amino]-6-oxidanylidene-5-[2,2,2-tris(fluoranyl)ethanoylamino]hexanoic acid Openeye Name: 6-(4-cyanoanilino)-6-oxo-5-[(2,2,2-trifluoroacetyl)amino]hexanoic acid CAS Name: 6-(4-cyanoanilino)-6-oxo-5-[(2,2,2-trifluoro-1-oxoethyl)amino]hexanoic acid IUPAC Name: 6-(4-cyanoanilino)-6-oxo-5-[(2,2,2-trifluoroacetyl)amino]hexanoic acid Traditional Name: 6-(4-cyanoanilino)-6-keto-5-[(2,2,2-trifluoroacetyl)amino]hexanoic acid Formula: C15H14F3N3O4 MolecularWeight: 357.28457

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC(=O)C(CCCC(=O)O)NC(=O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C#N)NC(=O)C(CCCC(=O)O)NC(=O)C(F)(F)F

InChI

InChI=1S/C15H14F3N3O4/c16-15(17,18)14(25)21-11(2-1-3-12(22)23)13(24)20-10-6-4-9(8-19)5-7-10/h4-7,11H,1-3H2,(H,20,24)(H,21,25)(H,22,23)