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

Systemtic Name: 5-(2,2-dimethyl-3-oxidanyl-3-oxidanylidene-propyl)-3-methyl-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 5-(3-hydroxy-2,2-dimethyl-3-oxo-propyl)-3-methyl-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 5-(3-hydroxy-2,2-dimethyl-3-oxopropyl)-3-methyl-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 5-(3-hydroxy-2,2-dimethyl-3-oxopropyl)-3-methyl-1-phenylpyrazole-4-carboxylic acid Traditional Name: 5-(3-hydroxy-3-keto-2,2-dimethyl-propyl)-3-methyl-1-phenyl-pyrazole-4-carboxylic acid Formula: C16H18N2O4 MolecularWeight: 302.32512

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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=C2

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4/c1-10-13(14(19)20)12(9-16(2,3)15(21)22)18(17-10)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,19,20)(H,21,22)