2,2-dimethyl-5-[(1H-1,2,4-triazol-5-ylamino)methylidene]-1,3-dioxane-4,6-dione

Systemtic Name: 2,2-dimethyl-5-[(1H-1,2,4-triazol-5-ylamino)methylidene]-1,3-dioxane-4,6-dione Openeye Name: 2,2-dimethyl-5-[(1H-1,2,4-triazol-5-ylamino)methylene]-1,3-dioxane-4,6-dione CAS Name: 2,2-dimethyl-5-[(1H-1,2,4-triazol-5-ylamino)methylidene]-1,3-dioxane-4,6-dione IUPAC Name: 2,2-dimethyl-5-[(1H-1,2,4-triazol-5-ylamino)methylidene]-1,3-dioxane-4,6-dione Traditional Name: 2,2-dimethyl-5-[(1H-1,2,4-triazol-5-ylamino)methylene]-1,3-dioxane-4,6-quinone Formula: C9H10N4O4 MolecularWeight: 238.2001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(=CNC2=NC=NN2)C(=O)O1)C

Isomeric SMILES

CC1(OC(=O)C(=CNC2=NC=NN2)C(=O)O1)C

InChI

InChI=1S/C9H10N4O4/c1-9(2)16-6(14)5(7(15)17-9)3-10-8-11-4-12-13-8/h3-4H,1-2H3,(H2,10,11,12,13)