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CHEBI:104884 - 3-[[3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]benzoic acid methyl ester

ChEBI IDCHEBI:104884
ChEBI Name3-[[3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]benzoic acid methyl ester
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DownloadsMolfile
FormulaC18H15NO5
Net Charge0
Average Mass325.320
Monoisotopic Mass325.09502
SMILESCOC(=O)c1cccc(NC(=O)C=Cc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C18H15NO5/c1-22-18(21)13-3-2-4-14(10-13)19-17(20)8-6-12-5-7-15-16(9-12)24-11-23-15/h2-10H,11H2,1H3,(H,19,20)
InChIKeyZTYDZGHYQBIQRV-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-[[3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]benzoic acid methyl ester (CHEBI:104884) is a amidobenzoic acid (CHEBI:48470)
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LSM-16246LINCS