OntologieschebiclassesCHEBI:51940   
JSON document
coumarin 504
http://purl.obolibrary.org/obo/CHEBI_51940
Also appears inslm
Exact Synonyms
ethyl 11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylate
Related Synonyms
Coumarin 314
class Information
charge

0

formula

C18H19NO4

has_dbxref
  • Beilstein:5123844
  • CAS:55804-66-5
has_obo_namespace

chebi_ontology

inchi

InChI=1S/C18H19NO4/c1-2-22-17(20)14-10-12-9-11-5-3-7-19-8-4-6-13(15(11)19)16(12)23-18(14)21/h9-10H,2-8H2,1H3

inchikey

VMJKUPWQKZFFCX-UHFFFAOYSA-N

in_subset

3_STAR

mass

313.34780

monoisotopicmass

313.13141

smiles

CCOC(=O)c1cc2cc3CCCN4CCCc(c34)c2oc1=O

class Relations