3-nitro-7-azabicyclo[2.2.1]hepta-1,3,5-triene; pyrazol-3-one

Systemtic Name: 3-nitro-7-azabicyclo[2.2.1]hepta-1,3,5-triene; pyrazol-3-one Openeye Name: 3-nitro-7-azabicyclo[2.2.1]hepta-1,3,5-triene; pyrazol-3-one CAS Name: 3-nitro-7-azabicyclo[2.2.1]hepta-1,3,5-triene; 3-pyrazolone IUPAC Name: 3-nitro-7-azabicyclo[2.2.1]hepta-1,3,5-triene; pyrazol-3-one Traditional Name: 3-nitro-7-azabicyclo[2.2.1]hepta-1,3,5-triene; pyrazol-3-one Formula: C9H6N4O3 MolecularWeight: 218.16894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N2)[N+](=O)[O-].C1=CN=NC1=O

Isomeric SMILES

C1=CC2=C(C=C1N2)[N+](=O)[O-].C1=CN=NC1=O

InChI

InChI=1S/C6H4N2O2.C3H2N2O/c9-8(10)6-3-4-1-2-5(6)7-4;6-3-1-2-4-5-3/h1-3,7H;1-2H