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

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 1,3,5-trimethylpyrazole-4-carboxylate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 1,3,5-trimethylpyrazole-4-carboxylate CAS Name: 1,3,5-trimethyl-4-pyrazolecarboxylic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 1,3,5-trimethylpyrazole-4-carboxylate Traditional Name: 1,3,5-trimethylpyrazole-4-carboxylic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C13H21N3O3 MolecularWeight: 267.32414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O3/c1-6-8(2)14-11(17)7-19-13(18)12-9(3)15-16(5)10(12)4/h8H,6-7H2,1-5H3,(H,14,17)