3-(1,3-Benzodioxol-5-yl)-2-(benzoylamino)acrylic acid

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Systematic / IUPAC Name: (2E)-3-(1,3-Benzodioxol-5-yl)-2-(benzoylamino)acrylic acid

ID: Reference4256

Other Names: α-Benzamido-3,4-methylenedioxycinnamic acid;
(2E)-3-(1,3-Benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoic acid;
3-Benzo[1,3]dioxol-5-yl-2-benzoylamino-acrylic acid

Formula: C17H13NO5

Spectral Data

3-(1,3-Benzodioxol-5-yl)-2-(benzoylamino)acrylic 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 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/17/2016 8:58:16 AM
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Identificators

InChI InChI=1S/C17H13NO5/c19-16(12-4-2-1-3-5-12)18-13(17(20)21)8-11-6-7-14-15(9-11)23-10-22-14/h1-9H,10H2,(H,18,19)(H,20,21)/b13-8+
InChI Key XXTGKIRVFYJOKQ-MDWZMJQESA-N
Canonical SMILES C1OC2=C(O1)C=C(C=C2)C=C(C(=O)O)NC(=O)C3=CC=CC=C3
CAS
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Other Names α-Benzamido-3,4-methylenedioxycinnamic acid;
(2E)-3-(1,3-Benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoic acid;
3-Benzo[1,3]dioxol-5-yl-2-benzoylamino-acrylic acid

In Other Databases

ChemSpider 1473537
PubChem 1916712