3-bromanyl-5-oxidanylidene-2-propan-2-yl-1H-pyrazole-4-carboxylic acid

Systemtic Name: 3-bromanyl-5-oxidanylidene-2-propan-2-yl-1H-pyrazole-4-carboxylic acid Openeye Name: 3-bromo-2-isopropyl-5-oxo-1H-pyrazole-4-carboxylic acid CAS Name: 3-bromo-5-oxo-2-propan-2-yl-1H-pyrazole-4-carboxylic acid IUPAC Name: 3-bromo-5-oxo-2-propan-2-yl-1H-pyrazole-4-carboxylic acid Traditional Name: 5-bromo-1-isopropyl-3-keto-3-pyrazoline-4-carboxylic acid Formula: C7H9BrN2O3 MolecularWeight: 249.06196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H9BrN2O3/c1-3(2)10-5(8)4(7(12)13)6(11)9-10/h3H,1-2H3,(H,9,11)(H,12,13)