6,7-dinitro-1,2-dihydrobenzotriazol-4-one

Systemtic Name: 6,7-dinitro-1,2-dihydrobenzotriazol-4-one Openeye Name: 6,7-dinitro-1,2-dihydrobenzotriazol-4-one CAS Name: 6,7-dinitro-1,2-dihydrobenzotriazol-4-one IUPAC Name: 6,7-dinitro-1,2-dihydrobenzotriazol-4-one Traditional Name: 6,7-dinitro-1,2-dihydrobenzotriazol-4-one Formula: C6H3N5O5 MolecularWeight: 225.11852

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C2C(=NNN2)C1=O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(C(=C2C(=NNN2)C1=O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C6H3N5O5/c12-3-1-2(10(13)14)6(11(15)16)5-4(3)7-9-8-5/h1,8-9H