5-(2,2-dimethyl-3-oxidanidyl-3-oxidanylidene-propyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: 5-(2,2-dimethyl-3-oxidanidyl-3-oxidanylidene-propyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: 5-(2,2-dimethyl-3-oxido-3-oxo-propyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-(2,2-dimethyl-3-oxido-3-oxopropyl)-1-phenyl-4-pyrazolecarboxylate IUPAC Name: 5-(2,2-dimethyl-3-oxido-3-oxopropyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 5-(3-keto-2,2-dimethyl-3-oxido-propyl)-1-phenyl-pyrazole-4-carboxylate Formula: C15H14N2O4-2 MolecularWeight: 286.28266

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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)/p-2