4-(4-pyrimidin-4-ylpyrazol-1-yl)benzoate

Systemtic Name: 4-(4-pyrimidin-4-ylpyrazol-1-yl)benzoate Openeye Name: 4-(4-pyrimidin-4-ylpyrazol-1-yl)benzoate CAS Name: 4-[4-(4-pyrimidinyl)-1-pyrazolyl]benzoate IUPAC Name: 4-(4-pyrimidin-4-ylpyrazol-1-yl)benzoate Traditional Name: 4-[4-(4-pyrimidyl)pyrazol-1-yl]benzoate Formula: C14H9N4O2- MolecularWeight: 265.24686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])N2C=C(C=N2)C3=NC=NC=C3

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])N2C=C(C=N2)C3=NC=NC=C3

InChI

InChI=1S/C14H10N4O2/c19-14(20)10-1-3-12(4-2-10)18-8-11(7-17-18)13-5-6-15-9-16-13/h1-9H,(H,19,20)/p-1