5-(2,2-dimethyl-3-oxidanyl-3-oxidanylidene-propyl)-1-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-(2,2-dimethyl-3-oxidanyl-3-oxidanylidene-propyl)-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 5-(3-hydroxy-2,2-dimethyl-3-oxo-propyl)-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 5-(3-hydroxy-2,2-dimethyl-3-oxopropyl)-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 5-(3-hydroxy-2,2-dimethyl-3-oxopropyl)-1-phenylpyrazole-4-carboxylic acid Traditional Name: 5-(3-hydroxy-3-keto-2,2-dimethyl-propyl)-1-phenyl-pyrazole-4-carboxylic acid Formula: C15H16N2O4 MolecularWeight: 288.29854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=C(C=NN1C2=CC=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(CC1=C(C=NN1C2=CC=CC=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C15H16N2O4/c1-15(2,14(20)21)8-12-11(13(18)19)9-16-17(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,18,19)(H,20,21)