2-{[2,2,2-Trifluoro-1-[(isopropoxycarbonyl)amino]-1-(trifluoromethyl)ethyl]amino}benzoic acid

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Systematic / IUPAC Name: 2-({1,1,1,3,3,3-Hexafluoro-2-[(isopropoxycarbonyl)amino]-2-propanyl}amino)benzoic acid

ID: Reference3772

Other Names: 2-[(1,1,1,3,3,3-Hexafluoro-2-{[(propan-2-yloxy)carbonyl]amino}propan-2-yl)amino]benzoic acid;
Benzoic acid, 2-[(2,2,2-trifluoro-1-{[(1-methylethoxy)carbonyl]amino}-1-(trifluoromethyl)ethyl)amino]-

Formula: C14H14F6N2O4

Spectral Data

2-{[2,2,2-Trifluoro-1-[(isopropoxycarbonyl)amino]-1-(trifluoromethyl)ethyl]amino}benzoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/10/2016 7:31:05 AM
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Identificators

InChI InChI=1S/C14H14F6N2O4/c1-7(2)26-11(25)22-12(13(15,16)17,14(18,19)20)21-9-6-4-3-5-8(9)10(23)24/h3-7,21H,1-2H3,(H,22,25)(H,23,24)
InChI Key QTRWNZRHWSHUSX-UHFFFAOYSA-N
Canonical SMILES CC(C)OC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=CC=C1C(=O)O
CAS
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Other Names 2-[(1,1,1,3,3,3-Hexafluoro-2-{[(propan-2-yloxy)carbonyl]amino}propan-2-yl)amino]benzoic acid;
Benzoic acid, 2-[(2,2,2-trifluoro-1-{[(1-methylethoxy)carbonyl]amino}-1-(trifluoromethyl)ethyl)amino]-

In Other Databases

ChEMBL CHEMBL1706886
ChemSpider 1364677
PubChem 1717181