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

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ChEBI Name 2-furancarboxylic acid [4-[[1-(4-ethoxycarbonylphenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]-2-methoxyphenyl] ester
ChEBI ID CHEBI:116341
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H20N2O8
Net Charge 0
Average Mass 476.436
Monoisotopic Mass 476.12197
InChI InChI=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)
InChIKey QALIHEAITYRYDK-UHFFFAOYSA-N
SMILES CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OC(=O)C4=CC=CO4)OC)C(=O)N2
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 Xref Database
LSM-27795 LINCS
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