4-(5-oxidanidyl-3-propyl-pyrazol-1-yl)benzoate

Systemtic Name: 4-(5-oxidanidyl-3-propyl-pyrazol-1-yl)benzoate Openeye Name: 4-(5-oxido-3-propyl-pyrazol-1-yl)benzoate CAS Name: 4-(5-oxido-3-propyl-1-pyrazolyl)benzoate IUPAC Name: 4-(5-oxido-3-propylpyrazol-1-yl)benzoate Traditional Name: 4-(5-oxido-3-propyl-pyrazol-1-yl)benzoate Formula: C13H12N2O3-2 MolecularWeight: 244.24598

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)[O-])C2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCCC1=NN(C(=C1)[O-])C2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C13H14N2O3/c1-2-3-10-8-12(16)15(14-10)11-6-4-9(5-7-11)13(17)18/h4-8,16H,2-3H2,1H3,(H,17,18)/p-2