5-nitro-3-azabicyclo[2.2.2]octa-1(6),4,7-trien-2-one

Systemtic Name: 5-nitro-3-azabicyclo[2.2.2]octa-1(6),4,7-trien-2-one Openeye Name: 5-nitro-3-azabicyclo[2.2.2]octa-1(6),4,7-trien-2-one CAS Name: 5-nitro-3-azabicyclo[2.2.2]octa-1(6),4,7-trien-2-one IUPAC Name: 5-nitro-3-azabicyclo[2.2.2]octa-1(6),4,7-trien-2-one Traditional Name: 5-nitro-3-azabicyclo[2.2.2]octa-1(6),4,7-trien-2-one Formula: C7H4N2O3 MolecularWeight: 164.11826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1C(=O)N2)[N+](=O)[O-]

InChI

InChI=1S/C7H4N2O3/c10-7-4-1-2-5(8-7)6(3-4)9(11)12/h1-3H,(H,8,10)