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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NN(C1=O)C2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CCC1=C(NN(C1=O)C2=CC=C(C=C2)C(=O)O)C

InChI

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