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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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