5-(4-bromophenyl)-3-nitro-1H-1,2,4-triazole

Systemtic Name: 5-(4-bromophenyl)-3-nitro-1H-1,2,4-triazole Openeye Name: 5-(4-bromophenyl)-3-nitro-1H-1,2,4-triazole CAS Name: 5-(4-bromophenyl)-3-nitro-1H-1,2,4-triazole IUPAC Name: 5-(4-bromophenyl)-3-nitro-1H-1,2,4-triazole Traditional Name: 5-(4-bromophenyl)-3-nitro-1H-1,2,4-triazole Formula: C8H5BrN4O2 MolecularWeight: 269.0549

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=NN2)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=NN2)[N+](=O)[O-])Br

InChI

InChI=1S/C8H5BrN4O2/c9-6-3-1-5(2-4-6)7-10-8(12-11-7)13(14)15/h1-4H,(H,10,11,12)