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CHEBI:114583 - 2-amino-N-[[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]amino]benzamide

ChEBI IDCHEBI:114583
ChEBI Name2-amino-N-[[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]amino]benzamide
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DownloadsMolfile
FormulaC18H18N4O4
Net Charge0
Average Mass354.366
Monoisotopic Mass354.13281
SMILESCC(CC(=O)Nc1ccc2c(c1)OCO2)=NNC(=O)c1ccccc1N
InChIInChI=1S/C18H18N4O4/c1-11(21-22-18(24)13-4-2-3-5-14(13)19)8-17(23)20-12-6-7-15-16(9-12)26-10-25-15/h2-7,9H,8,10,19H2,1H3,(H,20,23)(H,22,24)
InChIKeyMGBSYVGOLVTBCY-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-amino-N-[[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]amino]benzamide (CHEBI:114583) is a aminobenzoic acid (CHEBI:22495)
Manual XrefsDatabases
LSM-26045LINCS