EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:123142 - 2-[5-[(5-amino-1-tetrazolyl)iminomethyl]-2-furanyl]-5-bromobenzoic acid methyl ester

ChEBI IDCHEBI:123142
ChEBI Name2-[5-[(5-amino-1-tetrazolyl)iminomethyl]-2-furanyl]-5-bromobenzoic acid methyl ester
Stars
DownloadsMolfile
FormulaC14H11BrN6O3
Net Charge0
Average Mass391.185
Monoisotopic Mass390.00760
SMILESCOC(=O)c1cc(Br)ccc1-c1ccc(C=Nn2nnnc2N)o1
InChIInChI=1S/C14H11BrN6O3/c1-23-13(22)11-6-8(15)2-4-10(11)12-5-3-9(24-12)7-17-21-14(16)18-19-20-21/h2-7H,1H3,(H2,16,18,20)
InChIKeyRLRMMAQSZVIICE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[5-[(5-amino-1-tetrazolyl)iminomethyl]-2-furanyl]-5-bromobenzoic acid methyl ester (CHEBI:123142) is a benzoate ester (CHEBI:36054)
Manual XrefsDatabases
LSM-34584LINCS