5-(6-nitrobenzotriazol-1-yl)pyrazol-3-one

Systemtic Name: 5-(6-nitrobenzotriazol-1-yl)pyrazol-3-one Openeye Name: 5-(6-nitrobenzotriazol-1-yl)pyrazol-3-one CAS Name: 5-(6-nitro-1-benzotriazolyl)-3-pyrazolone IUPAC Name: 5-(6-nitrobenzotriazol-1-yl)pyrazol-3-one Traditional Name: 5-(6-nitrobenzotriazol-1-yl)pyrazol-3-one Formula: C9H4N6O3 MolecularWeight: 244.16646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])N(N=N2)C3=CC(=O)N=N3

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])N(N=N2)C3=CC(=O)N=N3

InChI

InChI=1S/C9H4N6O3/c16-9-4-8(11-12-9)14-7-3-5(15(17)18)1-2-6(7)10-13-14/h1-4H