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

Systemtic Name: 3-(4,5-dimethyl-3-oxidanylidene-1H-pyrazol-2-yl)benzoic acid Openeye Name: 3-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)benzoic acid CAS Name: 3-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)benzoic acid IUPAC Name: 3-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)benzoic acid Traditional Name: 3-(5-keto-3,4-dimethyl-3-pyrazolin-1-yl)benzoic acid Formula: C12H12N2O3 MolecularWeight: 232.23528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN(C1=O)C2=CC=CC(=C2)C(=O)O)C

Isomeric SMILES

CC1=C(NN(C1=O)C2=CC=CC(=C2)C(=O)O)C

InChI

InChI=1S/C12H12N2O3/c1-7-8(2)13-14(11(7)15)10-5-3-4-9(6-10)12(16)17/h3-6,13H,1-2H3,(H,16,17)