methyl 2-[2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)butanoylamino]ethanoate

Systemtic Name: methyl 2-[2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)butanoylamino]ethanoate Openeye Name: methyl 2-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)butanoylamino]acetate CAS Name: 2-[[2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-1-oxobutyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoylamino]acetate Traditional Name: 2-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)butanoylamino]acetic acid methyl ester Formula: C12H18ClN3O3 MolecularWeight: 287.74262

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC(=O)OC)N1C(=C(C(=N1)C)Cl)C

Isomeric SMILES

CCC(C(=O)NCC(=O)OC)N1C(=C(C(=N1)C)Cl)C

InChI

InChI=1S/C12H18ClN3O3/c1-5-9(12(18)14-6-10(17)19-4)16-8(3)11(13)7(2)15-16/h9H,5-6H2,1-4H3,(H,14,18)