4-[4-(dioxidanylmethyl)phenyl]-1,2,4-triazole-3,5-dione

Systemtic Name: 4-[4-(dioxidanylmethyl)phenyl]-1,2,4-triazole-3,5-dione Openeye Name: 4-[4-(hydroperoxymethyl)phenyl]-1,2,4-triazole-3,5-dione CAS Name: 4-[4-(hydroperoxymethyl)phenyl]-1,2,4-triazole-3,5-dione IUPAC Name: 4-[4-(hydroperoxymethyl)phenyl]-1,2,4-triazole-3,5-dione Traditional Name: 4-[4-(hydroperoxymethyl)phenyl]-1,2,4-triazole-3,5-quinone Formula: C9H7N3O4 MolecularWeight: 221.16958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COO)N2C(=O)N=NC2=O

Isomeric SMILES

C1=CC(=CC=C1COO)N2C(=O)N=NC2=O

InChI

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