[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 1-phenylpyrazole-4-carboxylate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 1-phenylpyrazole-4-carboxylate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 1-phenylpyrazole-4-carboxylate CAS Name: 1-phenyl-4-pyrazolecarboxylic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenylpyrazole-4-carboxylic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)COC(=O)C1=CN(N=C1)C2=CC=CC=C2

Isomeric SMILES

CC(C)CNC(=O)NC(=O)COC(=O)C1=CN(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C17H20N4O4/c1-12(2)8-18-17(24)20-15(22)11-25-16(23)13-9-19-21(10-13)14-6-4-3-5-7-14/h3-7,9-10,12H,8,11H2,1-2H3,(H2,18,20,22,24)