3-[2-({[(4-chloroanilino)carbonyl]oxy}imino)propyl]-1-(5-methylisoxazol-3-yl)-1H-1,2,4-triazole

enlarge

Systematic / IUPAC Name: [(4-Chlorophenyl)amino]{[(E)-{1-[1-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]-2-propanylidene}amino]oxy}methanone

ID: Reference4008

Other Names: 2-Propanone, 1-[1-(5-methyl-3-isoxazolyl)-1H-1,2,4-triazol-3-yl], O-{[(4-chlorophenyl)amino]carbonyl}oxime, (2E)-

Formula: C16H15ClN6O3

Spectral Data

3-[2-({[(4-chloroanilino)carbonyl]oxy}imino)propyl]-1-(5-methylisoxazol-3-yl)-1H-1,2,4-triazole mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 216
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/29/2016 12:26:44 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C16H15ClN6O3/c1-10(21-26-16(24)19-13-5-3-12(17)4-6-13)7-14-18-9-23(20-14)15-8-11(2)25-22-15/h3-6,8-9H,7H2,1-2H3,(H,19,24)/b21-10+
InChI Key PMESTAPKHLWNIX-UFFVCSGVSA-N
Canonical SMILES CC1=CC(=NO1)N2C=NC(=N2)CC(=NOC(=O)NC3=CC=C(C=C3)Cl)C
CAS
Splash
Other Names 2-Propanone, 1-[1-(5-methyl-3-isoxazolyl)-1H-1,2,4-triazol-3-yl], O-{[(4-chlorophenyl)amino]carbonyl}oxime, (2E)-

In Other Databases

PubChem 9583511
ChemSpider 7857658