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

Systemtic Name: 4-[3,5-bis(oxidanylidene)-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 4-(3,5-dioxo-1,2,4-triazol-4-yl)benzoic acid CAS Name: 4-(3,5-dioxo-1,2,4-triazol-4-yl)benzoic acid IUPAC Name: 4-(3,5-dioxo-1,2,4-triazol-4-yl)benzoic acid Traditional Name: 4-(3,5-diketo-1,2,4-triazol-4-yl)benzoic acid Formula: C9H5N3O4 MolecularWeight: 219.1537

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N2C(=O)N=NC2=O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N2C(=O)N=NC2=O

InChI

InChI=1S/C9H5N3O4/c13-7(14)5-1-3-6(4-2-5)12-8(15)10-11-9(12)16/h1-4H,(H,13,14)