5-nitro-3,5,6-triazabicyclo[2.1.1]hexa-1,3-diene

Systemtic Name: 5-nitro-3,5,6-triazabicyclo[2.1.1]hexa-1,3-diene Openeye Name: 5-nitro-3,5,6-triazabicyclo[2.1.1]hexa-1,3-diene CAS Name: 5-nitro-3,5,6-triazabicyclo[2.1.1]hexa-1,3-diene IUPAC Name: 5-nitro-3,5,6-triazabicyclo[2.1.1]hexa-1,3-diene Traditional Name: 5-nitro-3,5,6-triazabicyclo[2.1.1]hexa-1,3-diene Formula: C3H2N4O2 MolecularWeight: 126.07358

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2NC(=N1)N2[N+](=O)[O-]

Isomeric SMILES

C1=C2NC(=N1)N2[N+](=O)[O-]

InChI

InChI=1S/C3H2N4O2/c8-7(9)6-2-1-4-3(6)5-2/h1H,(H,4,5)