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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 1,3,5-trimethylpyrazole-4-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 1,3,5-trimethylpyrazole-4-carboxylate CAS Name: 1,3,5-trimethyl-4-pyrazolecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 1,3,5-trimethylpyrazole-4-carboxylate Traditional Name: 1,3,5-trimethylpyrazole-4-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C12H15N3O3 MolecularWeight: 249.2658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CC1=C(C(=NN1C)C)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C12H15N3O3/c1-5-6-13-10(16)7-18-12(17)11-8(2)14-15(4)9(11)3/h1H,6-7H2,2-4H3,(H,13,16)