4-[(4-Chlorophenethyl)amino]-4-oxobut-2-enoic acid

enlarge

Systematic / IUPAC Name: (2E)-4-{[2-(4-Chlorophenyl)ethyl]amino}-4-oxo-2-butenoic acid

ID: Reference4754

Other Names: (E)-3-[2-(4-Chloro-phenyl)-ethylcarbamoyl]-acrylic acid;
2-Butenoic acid, 4-{[2-(4-chlorophenyl)ethyl]amino}-4-oxo-, (2E)-

Formula: C12H12ClNO3

Spectral Data

4-[(4-Chlorophenethyl)amino]-4-oxobut-2-enoic acid 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 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 5/10/2016 8:32:21 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C12H12ClNO3/c13-10-3-1-9(2-4-10)7-8-14-11(15)5-6-12(16)17/h1-6H,7-8H2,(H,14,15)(H,16,17)/b6-5+
InChI Key ASNQTQOSQYVBIA-AATRIKPKSA-N
Canonical SMILES C1=CC(=CC=C1CCNC(=O)C=CC(=O)O)Cl
CAS
Splash
Other Names (E)-3-[2-(4-Chloro-phenyl)-ethylcarbamoyl]-acrylic acid;
2-Butenoic acid, 4-{[2-(4-chlorophenyl)ethyl]amino}-4-oxo-, (2E)-

In Other Databases

ChemSpider 4823758
ChEMBL CHEMBL154103
PubChem 6148558