[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)COC(=O)C1=CC(=NN1)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)COC(=O)C1=CC(=NN1)C2=CC=CC=C2

InChI

InChI=1S/C17H20N4O4/c1-17(2,3)19-16(24)18-14(22)10-25-15(23)13-9-12(20-21-13)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H,20,21)(H2,18,19,22,24)