4-[2,4-dimethyl-3,5-bis(oxidanylidene)-1,2,4-triazolidin-1-yl]benzoic acid

Systemtic Name: 4-[2,4-dimethyl-3,5-bis(oxidanylidene)-1,2,4-triazolidin-1-yl]benzoic acid Openeye Name: 4-(2,4-dimethyl-3,5-dioxo-1,2,4-triazolidin-1-yl)benzoic acid CAS Name: 4-(2,4-dimethyl-3,5-dioxo-1,2,4-triazolidin-1-yl)benzoic acid IUPAC Name: 4-(2,4-dimethyl-3,5-dioxo-1,2,4-triazolidin-1-yl)benzoic acid Traditional Name: 4-(3,5-diketo-2,4-dimethyl-1,2,4-triazolidin-1-yl)benzoic acid Formula: C11H11N3O4 MolecularWeight: 249.22274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)N(N(C1=O)C2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CN1C(=O)N(N(C1=O)C2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C11H11N3O4/c1-12-10(17)13(2)14(11(12)18)8-5-3-7(4-6-8)9(15)16/h3-6H,1-2H3,(H,15,16)