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CHEBI:116341 - 2-furancarboxylic acid [4-[[1-(4-ethoxycarbonylphenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]-2-methoxyphenyl] ester

ChEBI IDCHEBI:116341
ChEBI Name2-furancarboxylic acid [4-[[1-(4-ethoxycarbonylphenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]-2-methoxyphenyl] ester
Stars
DownloadsMolfile
FormulaC25H20N2O8
Net Charge0
Average Mass476.441
Monoisotopic Mass476.12197
SMILESCCOC(=O)c1ccc(N2NC(=O)C(=Cc3ccc(OC(=O)c4ccco4)c(OC)c3)C2=O)cc1
InChIInChI=1S/C25H20N2O8/c1-3-33-24(30)16-7-9-17(10-8-16)27-23(29)18(22(28)26-27)13-15-6-11-19(21(14-15)32-2)35-25(31)20-5-4-12-34-20/h4-14H,3H2,1-2H3,(H,26,28)
InChIKeyQALIHEAITYRYDK-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)
2-furancarboxylic acid [4-[[1-(4-ethoxycarbonylphenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]-2-methoxyphenyl] ester (CHEBI:116341) is a amidobenzoic acid (CHEBI:48470)
Manual XrefsDatabases
LSM-27795LINCS