6-nitro-1,2-dihydrobenzotriazol-4-one

Systemtic Name: 6-nitro-1,2-dihydrobenzotriazol-4-one Openeye Name: 6-nitro-1,2-dihydrobenzotriazol-4-one CAS Name: 6-nitro-1,2-dihydrobenzotriazol-4-one IUPAC Name: 6-nitro-1,2-dihydrobenzotriazol-4-one Traditional Name: 6-nitro-1,2-dihydrobenzotriazol-4-one Formula: C6H4N4O3 MolecularWeight: 180.12096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H4N4O3/c11-5-2-3(10(12)13)1-4-6(5)8-9-7-4/h1-2,7,9H