1-[1-(2-methylbutan-2-ylamino)-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[1-(2-methylbutan-2-ylamino)-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-(1,1-dimethylpropylamino)-1-methyl-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-(tert-amylamino)-2-keto-1-methyl-ethyl]pyrazole-4-carboxylic acid Formula: C12H19N3O3 MolecularWeight: 253.29756

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C(C)N1C=C(C=N1)C(=O)O

Isomeric SMILES

CCC(C)(C)NC(=O)C(C)N1C=C(C=N1)C(=O)O

InChI

InChI=1S/C12H19N3O3/c1-5-12(3,4)14-10(16)8(2)15-7-9(6-13-15)11(17)18/h6-8H,5H2,1-4H3,(H,14,16)(H,17,18)