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

Systemtic Name: 5-(2,2-dimethyl-3-oxidanyl-3-oxidanylidene-propyl)-3-methyl-1-pyridin-2-yl-pyrazole-4-carboxylic acid Openeye Name: 5-(3-hydroxy-2,2-dimethyl-3-oxo-propyl)-3-methyl-1-(2-pyridyl)pyrazole-4-carboxylic acid CAS Name: 5-(3-hydroxy-2,2-dimethyl-3-oxopropyl)-3-methyl-1-(2-pyridinyl)-4-pyrazolecarboxylic acid IUPAC Name: 5-(3-hydroxy-2,2-dimethyl-3-oxopropyl)-3-methyl-1-pyridin-2-ylpyrazole-4-carboxylic acid Traditional Name: 5-(3-hydroxy-3-keto-2,2-dimethyl-propyl)-3-methyl-1-(2-pyridyl)pyrazole-4-carboxylic acid Formula: C15H17N3O4 MolecularWeight: 303.31318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)O)CC(C)(C)C(=O)O)C2=CC=CC=N2

Isomeric SMILES

CC1=NN(C(=C1C(=O)O)CC(C)(C)C(=O)O)C2=CC=CC=N2

InChI

InChI=1S/C15H17N3O4/c1-9-12(13(19)20)10(8-15(2,3)14(21)22)18(17-9)11-6-4-5-7-16-11/h4-7H,8H2,1-3H3,(H,19,20)(H,21,22)