CHEBI:223993 - 2,3-Dihydro-1-benzoxepin derivative 3

ChEBI IDCHEBI:223993
ChEBI Name2,3-Dihydro-1-benzoxepin derivative 3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H10ClNO2
Net Charge0
Average Mass235.670
Monoisotopic Mass235.04001
SMILESNC(=O)c1ccc2c(c1)C=C/C(=C\Cl)CO2
InChIInChI=1S/C12H10ClNO2/c13-6-8-1-2-9-5-10(12(14)15)3-4-11(9)16-7-8/h1-6H,7H2,(H2,14,15)/b8-6+
InChIKeyHBLXRWOEWPJYPL-SOFGYWHQSA-N
Species of MetaboliteComponentSourceComments
Favolaschia (ncbitaxon:139071) - PubMed (20329738)
ChEBI Ontology
Outgoing Relation(s)
2,3-Dihydro-1-benzoxepin derivative 3 (CHEBI:223993) is a oxacycle (CHEBI:38104)
IUPAC Name 
(3E)-3-(chloromethylidene)-1-benzoxepine-7-carboxamide
Manual XrefsDatabases
24671589ChemSpider