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

Systemtic Name: 4-[3,5-bis(oxidanylidene)-1,2,4-triazolidin-1-yl]benzoic acid Openeye Name: 4-(3,5-dioxo-1,2,4-triazolidin-1-yl)benzoic acid CAS Name: 4-(3,5-dioxo-1,2,4-triazolidin-1-yl)benzoic acid IUPAC Name: 4-(3,5-dioxo-1,2,4-triazolidin-1-yl)benzoic acid Traditional Name: 4-(3,5-diketo-1,2,4-triazolidin-1-yl)benzoic acid Formula: C9H7N3O4 MolecularWeight: 221.16958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N2C(=O)NC(=O)N2

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N2C(=O)NC(=O)N2

InChI

InChI=1S/C9H7N3O4/c13-7(14)5-1-3-6(4-2-5)12-9(16)10-8(15)11-12/h1-4H,(H,13,14)(H2,10,11,15,16)