2-({[3-Chloro-5-(trifluoromethyl)-2-pyridyl]carbonyl}amino)-4,5-dimethoxybenzoic acid

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Systematic / IUPAC Name: 2-({[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]carbonyl}amino)-4,5-dimethoxybenzoic acid

ID: Reference4019

Other Names: Benzoic acid, 2-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]carbonyl}amino)-4,5-dimethoxy-

Formula: C16H12ClF3N2O5

Spectral Data

2-({[3-Chloro-5-(trifluoromethyl)-2-pyridyl]carbonyl}amino)-4,5-dimethoxybenzoic 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 2
No. of Spectra 234
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/1/2016 9:38:30 AM
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Identificators

InChI InChI=1S/C16H12ClF3N2O5/c1-26-11-4-8(15(24)25)10(5-12(11)27-2)22-14(23)13-9(17)3-7(6-21-13)16(18,19)20/h3-6H,1-2H3,(H,22,23)(H,24,25)
InChI Key LORFFZAQIFUMLR-UHFFFAOYSA-N
Canonical SMILES COC1=C(C=C(C(=C1)C(=O)O)NC(=O)C2=C(C=C(C=N2)C(F)(F)F)Cl)OC
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Other Names Benzoic acid, 2-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]carbonyl}amino)-4,5-dimethoxy-

In Other Databases

ChemSpider 2080123
PubChem 2801411