Ethyl 6-ethyl-2,5-dioxo-5,6-dihydro-2H-pyrano[3,2-c]quinoline-3-carboxylate

This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
InChI descriptor[cheminf_000113]: InChI=1S/C17H15NO5/c1-3-18-13-8-6-5-7-10(13)14-11(15(18)19)9-12(17(21)23-14)16(20)22-4-2/h5-9H,3-4H2,1-2H3, and canonical SMILES descriptor[cheminf_000007]: CCOC(=O)c1cc2c(oc1=O)c1ccccc1n(c2=O)CC, and by the IUPAC name[cheminf_000107]: ethyl 6-ethyl-2,5-dioxopyrano[3,2-c]quinoline-3-carboxylate.

The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:

CCO

O=CN(C)C

The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-32405

The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
Melting point descriptor[CHEMINF_000256]:
Boiling point descriptor[CHEMINF_000257]:
Refractive index descriptor[CHEMINF_000253]:

The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:

CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)

CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)

CHMO:0000563 | fast-atom bombardment mass spectrometry (FABMS)

The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID:

Used ontologies:
CHEBI - Chemical Entities of Biological Interest
CHEMINF - chemical information ontology (information entities about chemical entities)
CHMO - Chemical Methods Ontology
OBI - Ontology for Biomedical Investigations