2-(1-tert-butyl-5-oxidanylidene-4H-pyrazol-3-yl)ethanoic acid

Systemtic Name: 2-(1-tert-butyl-5-oxidanylidene-4H-pyrazol-3-yl)ethanoic acid Openeye Name: 2-(1-tert-butyl-5-oxo-4H-pyrazol-3-yl)acetic acid CAS Name: 2-(1-tert-butyl-5-oxo-4H-pyrazol-3-yl)acetic acid IUPAC Name: 2-(1-tert-butyl-5-oxo-4H-pyrazol-3-yl)acetic acid Traditional Name: 2-(1-tert-butyl-5-keto-2-pyrazolin-3-yl)acetic acid Formula: C9H14N2O3 MolecularWeight: 198.21906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)CC(=N1)CC(=O)O

Isomeric SMILES

CC(C)(C)N1C(=O)CC(=N1)CC(=O)O

InChI

InChI=1S/C9H14N2O3/c1-9(2,3)11-7(12)4-6(10-11)5-8(13)14/h4-5H2,1-3H3,(H,13,14)