5-(5-nitro-3-oxidanyl-1H-benzotriazol-2-yl)pyrazol-3-one

Systemtic Name: 5-(5-nitro-3-oxidanyl-1H-benzotriazol-2-yl)pyrazol-3-one Openeye Name: 5-(3-hydroxy-5-nitro-1H-benzotriazol-2-yl)pyrazol-3-one CAS Name: 5-(3-hydroxy-5-nitro-1H-benzotriazol-2-yl)-3-pyrazolone IUPAC Name: 5-(3-hydroxy-5-nitro-1H-benzotriazol-2-yl)pyrazol-3-one Traditional Name: 5-(3-hydroxy-5-nitro-1H-benzotriazol-2-yl)pyrazol-3-one Formula: C9H6N6O4 MolecularWeight: 262.18174

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C9H6N6O4/c16-9-4-8(10-11-9)13-12-6-2-1-5(15(18)19)3-7(6)14(13)17/h1-4,12,17H