5-(3-nitrophenyl)-1,2,4-triazol-3-one

Systemtic Name: 5-(3-nitrophenyl)-1,2,4-triazol-3-one Openeye Name: 5-(3-nitrophenyl)-1,2,4-triazol-3-one CAS Name: 5-(3-nitrophenyl)-1,2,4-triazol-3-one IUPAC Name: 5-(3-nitrophenyl)-1,2,4-triazol-3-one Traditional Name: 5-(3-nitrophenyl)-1,2,4-triazol-3-one Formula: C8H4N4O3 MolecularWeight: 204.14236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC(=O)N=N2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC(=O)N=N2

InChI

InChI=1S/C8H4N4O3/c13-8-9-7(10-11-8)5-2-1-3-6(4-5)12(14)15/h1-4H