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CHEBI:63875 - 4-[(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methylamino]but-2-enoic acid

ChEBI IDCHEBI:63875
ChEBI Name4-[(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methylamino]but-2-enoic acid
Stars
DefinitionA monocarboxylic acid that is but-2-enoic acid in which one of the hydrogens at position 4 is substituted by a [(E)-(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]amino moiety.
Last Modified9 February 2012
SubmitterSteve
DownloadsMolfile
FormulaC14H12N2O4
Net Charge0
Average Mass272.260
Monoisotopic Mass272.07971
SMILESO=C(O)/C=C/CN/C=C1/N=C(c2ccccc2)OC1=O
InChIInChI=1S/C14H12N2O4/c17-12(18)7-4-8-15-9-11-14(19)20-13(16-11)10-5-2-1-3-6-10/h1-7,9,15H,8H2,(H,17,18)/b7-4+,11-9+
InChIKeyNWPKPRWNDVEPNY-WUZDHUPESA-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)
4-[(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methylamino]but-2-enoic acid (CHEBI:63875) is a 1,3-oxazoles (CHEBI:46812)
4-[(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methylamino]but-2-enoic acid (CHEBI:63875) is a enamine (CHEBI:47989)
4-[(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methylamino]but-2-enoic acid (CHEBI:63875) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
(2E)-4-{[(E)-(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]amino}but-2-enoic acid
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