2-(5-oxidanylidene-3-propyl-4H-pyrazol-1-yl)benzoic acid

Systemtic Name: 2-(5-oxidanylidene-3-propyl-4H-pyrazol-1-yl)benzoic acid Openeye Name: 2-(5-oxo-3-propyl-4H-pyrazol-1-yl)benzoic acid CAS Name: 2-(5-oxo-3-propyl-4H-pyrazol-1-yl)benzoic acid IUPAC Name: 2-(5-oxo-3-propyl-4H-pyrazol-1-yl)benzoic acid Traditional Name: 2-(5-keto-3-propyl-2-pyrazolin-1-yl)benzoic acid Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCC1=NN(C(=O)C1)C2=CC=CC=C2C(=O)O

InChI

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