3-({[4-(Trifluoromethoxy)anilino]carbonyl}amino)benzoic acid

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Systematic / IUPAC Name: 3-{[4-(Trifluoromethoxy)phenyl]carbamoylamino}benzoic acid

ID: Reference6479

Other Names: 3-({[4-(Trifluoromethoxy)phenyl]carbamoyl}amino)benzoic acid;
Benzoic acid, 3-[({[4-(trifluoromethoxy)phenyl]amino}carbonyl)amino]-

Formula: C15H11F3N2O4

Spectral Data

3-({[4-(Trifluoromethoxy)anilino]carbonyl}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 94
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/16/2017 2:38:29 PM
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Identificators

InChI InChI=1S/C15H11F3N2O4/c16-15(17,18)24-12-6-4-10(5-7-12)19-14(23)20-11-3-1-2-9(8-11)13(21)22/h1-8H,(H,21,22)(H2,19,20,23)
InChI Key GWABUIDFZMRJTA-UHFFFAOYSA-N
Canonical SMILES C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)OC(F)(F)F)C(=O)O
CAS
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Other Names 3-({[4-(Trifluoromethoxy)phenyl]carbamoyl}amino)benzoic acid;
Benzoic acid, 3-[({[4-(trifluoromethoxy)phenyl]amino}carbonyl)amino]-

In Other Databases

ChemSpider 2090508
PubChem 2812102