4-[4-(4-nitro-1H-pyrazol-5-yl)pyrazol-1-yl]benzoate

Systemtic Name: 4-[4-(4-nitro-1H-pyrazol-5-yl)pyrazol-1-yl]benzoate Openeye Name: 4-[4-(4-nitro-1H-pyrazol-5-yl)pyrazol-1-yl]benzoate CAS Name: 4-[4-(4-nitro-1H-pyrazol-5-yl)-1-pyrazolyl]benzoate IUPAC Name: 4-[4-(4-nitro-1H-pyrazol-5-yl)pyrazol-1-yl]benzoate Traditional Name: 4-[4-(4-nitro-1H-pyrazol-5-yl)pyrazol-1-yl]benzoate Formula: C13H8N5O4- MolecularWeight: 298.23372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])N2C=C(C=N2)C3=C(C=NN3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])N2C=C(C=N2)C3=C(C=NN3)[N+](=O)[O-]

InChI

InChI=1S/C13H9N5O4/c19-13(20)8-1-3-10(4-2-8)17-7-9(5-15-17)12-11(18(21)22)6-14-16-12/h1-7H,(H,14,16)(H,19,20)/p-1