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2-ethyl-4-[[3,3,3-tris(fluoranyl)-2-methyl-2-oxidanyl-propanoyl]amino]benzoic acid

2-ethyl-4-[[3,3,3-tris(fluoranyl)-2-methyl-2-oxidanyl-propanoyl]amino]benzoic acid

Systemtic Name:2-ethyl-4-[[3,3,3-tris(fluoranyl)-2-methyl-2-oxidanyl-propanoyl]amino]benzoic acid
Openeye Name:2-ethyl-4-[(3,3,3-trifluoro-2-hydroxy-2-methyl-propanoyl)amino]benzoic acid
CAS Name:2-ethyl-4-[(3,3,3-trifluoro-2-hydroxy-2-methyl-1-oxopropyl)amino]benzoic acid
IUPAC Name:2-ethyl-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzoic acid
Traditional Name:2-ethyl-4-[(3,3,3-trifluoro-2-hydroxy-2-methyl-propanoyl)amino]benzoic acid
Formula: C13H14F3NO4
MolecularWeight: 305.24977
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)NC(=O)C(C)(C(F)(F)F)O)C(=O)O


Isomeric SMILES

CCC1=C(C=CC(=C1)NC(=O)C(C)(C(F)(F)F)O)C(=O)O


InChI

InChI=1S/C13H14F3NO4/c1-3-7-6-8(4-5-9(7)10(18)19)17-11(20)12(2,21)13(14,15)16/h4-6,21H,3H2,1-2H3,(H,17,20)(H,18,19)


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