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

Systemtic Name: 4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)benzoic acid Openeye Name: 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoic acid CAS Name: 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoic acid IUPAC Name: 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoic acid Traditional Name: 4-(5-keto-3-methyl-2-pyrazolin-1-yl)benzoic acid Formula: C11H10N2O3 MolecularWeight: 218.2087

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N2O3/c1-7-6-10(14)13(12-7)9-4-2-8(3-5-9)11(15)16/h2-5H,6H2,1H3,(H,15,16)