1-nitro-2H-benzotriazol-4-one

Systemtic Name: 1-nitro-2H-benzotriazol-4-one Openeye Name: 1-nitro-2H-benzotriazol-4-one CAS Name: 1-nitro-2H-benzotriazol-4-one IUPAC Name: 1-nitro-2H-benzotriazol-4-one Traditional Name: 1-nitro-2H-benzotriazol-4-one Formula: C6H4N4O3 MolecularWeight: 180.12096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C2=NNN(C2=C1)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=O)C2=NNN(C2=C1)[N+](=O)[O-]

InChI

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