4-[2-(Methoxycarbonyl)anilino]-4-oxobut-2-enoic acid

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

ID: Reference6417

Other Names: (2E)-4-{[2-(Methoxycarbonyl)phenyl]amino}-4-oxobut-2-enoic acid;
4-{[2-(Methoxycarbonyl)phenyl]amino}-4-oxobut-2-enoic acid ;
Benzoic acid, 2-{[(2E)-3-carboxy-1-oxo-2-propen-1-yl]amino}-, 1-methyl ester

Formula: C12H11NO5

Spectral Data

4-[2-(Methoxycarbonyl)anilino]-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.

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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 3/2/2017 8:16:22 AM
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Identificators

InChI InChI=1S/C12H11NO5/c1-18-12(17)8-4-2-3-5-9(8)13-10(14)6-7-11(15)16/h2-7H,1H3,(H,13,14)(H,15,16)/b7-6+
InChI Key DAPLTIRLFKBRQA-VOTSOKGWSA-N
Canonical SMILES COC(=O)C1=CC=CC=C1NC(=O)C=CC(=O)O
CAS
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Other Names (2E)-4-{[2-(Methoxycarbonyl)phenyl]amino}-4-oxobut-2-enoic acid;
4-{[2-(Methoxycarbonyl)phenyl]amino}-4-oxobut-2-enoic acid ;
Benzoic acid, 2-{[(2E)-3-carboxy-1-oxo-2-propen-1-yl]amino}-, 1-methyl ester

In Other Databases

ChemSpider 618067
PubChem 708779
ChEMBL CHEMBL1501263