Molecular Weight (g/mol)

553.9

Molecular Formula

C19H28ClN5O12

InChI

InChI=1S/C11H6ClN3O6.2C4H11NO3/c12-7-5(14-8(16)10(18)19)1-4(3-13)2-6(7)15-9(17)11(20)21;2*5-4(1-6,2-7)3-8/h1-2H,(H,14,16)(H,15,17)(H,18,19)(H,20,21);2*6-8H,1-3,5H2

InChIKey

JJOFNSLZHKIJEV-UHFFFAOYSA-N

SMILES

C1=C(C=C(C(=C1NC(=O)C(=O)O)Cl)NC(=O)C(=O)O)C#N.C(C(CO)(CO)N)O.C(C(CO)(CO)N)O

IUPAC Name

2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[2-chloro-5-cyano-3-(oxaloamino)anilino]-2-oxoacetic acid

Exact Mass (Da)

553.142299

Monoisotopic Mass (Da)

553.142299