4-azanyl-4-oxidanylidene-2-[[2,4,5-tris(fluoranyl)-3-oxidanyl-phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-azanyl-4-oxidanylidene-2-[[2,4,5-tris(fluoranyl)-3-oxidanyl-phenyl]carbonylamino]butanoic acid Openeye Name: 4-amino-4-oxo-2-[(2,4,5-trifluoro-3-hydroxy-benzoyl)amino]butanoic acid CAS Name: 4-amino-4-oxo-2-[[oxo-(2,4,5-trifluoro-3-hydroxyphenyl)methyl]amino]butanoic acid IUPAC Name: 4-amino-4-oxo-2-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]butanoic acid Traditional Name: 4-amino-4-keto-2-[(2,4,5-trifluoro-3-hydroxy-benzoyl)amino]butyric acid Formula: C11H9F3N2O5 MolecularWeight: 306.19477

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1F)F)O)F)C(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

C1=C(C(=C(C(=C1F)F)O)F)C(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C11H9F3N2O5/c12-4-1-3(7(13)9(18)8(4)14)10(19)16-5(11(20)21)2-6(15)17/h1,5,18H,2H2,(H2,15,17)(H,16,19)(H,20,21)