class Information
charge
0
formula
C15H15N3O4
has_dbxref
has_obo_namespace
chebi_ontology
inchi
InChI=1S/C12H9N3O.C3H6O3/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8;1-2(4)3(5)6/h2-6H,1H3,(H,15,16);2,4H,1H3,(H,5,6)
inchikey
VWUPWEAFIOQCGF-UHFFFAOYSA-N
in_subset
mass
301.29730
monoisotopicmass
301.10626
smiles
[H+].CC(O)C([O-])=O.Cc1[nH]c(=O)c(cc1-c1ccncc1)C#N