[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 1,3,5-trimethylpyrazole-4-carboxylate

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 1,3,5-trimethylpyrazole-4-carboxylate Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl] 1,3,5-trimethylpyrazole-4-carboxylate CAS Name: 1,3,5-trimethyl-4-pyrazolecarboxylic acid [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] 1,3,5-trimethylpyrazole-4-carboxylate Traditional Name: 1,3,5-trimethylpyrazole-4-carboxylic acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C14H22N4O4 MolecularWeight: 310.34888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)COC(=O)C1=C(N(N=C1C)C)C

Isomeric SMILES

CCCCNC(=O)NC(=O)COC(=O)C1=C(N(N=C1C)C)C

InChI

InChI=1S/C14H22N4O4/c1-5-6-7-15-14(21)16-11(19)8-22-13(20)12-9(2)17-18(4)10(12)3/h5-8H2,1-4H3,(H2,15,16,19,21)