3-(5-oxidanylidene-3-propyl-4H-pyrazol-1-yl)benzoate

Systemtic Name: 3-(5-oxidanylidene-3-propyl-4H-pyrazol-1-yl)benzoate Openeye Name: 3-(5-oxo-3-propyl-4H-pyrazol-1-yl)benzoate CAS Name: 3-(5-oxo-3-propyl-4H-pyrazol-1-yl)benzoate IUPAC Name: 3-(5-oxo-3-propyl-4H-pyrazol-1-yl)benzoate Traditional Name: 3-(5-keto-3-propyl-2-pyrazolin-1-yl)benzoate Formula: C13H13N2O3- MolecularWeight: 245.25392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3/c1-2-4-10-8-12(16)15(14-10)11-6-3-5-9(7-11)13(17)18/h3,5-7H,2,4,8H2,1H3,(H,17,18)/p-1