[1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 1H-pyrazole-5-carboxylate

Systemtic Name: [1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 1H-pyrazole-5-carboxylate Openeye Name: [2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 1H-pyrazole-5-carboxylate CAS Name: 1H-pyrazole-5-carboxylic acid [1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 1H-pyrazole-5-carboxylate Traditional Name: 1H-pyrazole-5-carboxylic acid [2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C12H18N4O4 MolecularWeight: 282.29572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)OC(=O)C1=CC=NN1

Isomeric SMILES

CC(C(=O)NC(=O)NC(C)(C)C)OC(=O)C1=CC=NN1

InChI

InChI=1S/C12H18N4O4/c1-7(20-10(18)8-5-6-13-16-8)9(17)14-11(19)15-12(2,3)4/h5-7H,1-4H3,(H,13,16)(H2,14,15,17,19)