(2-azanyl-2-oxidanylidene-ethyl) 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 1-butyl-5-chloro-3-methyl-4-pyrazolecarboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid (2-amino-2-keto-ethyl) ester Formula: C11H16ClN3O3 MolecularWeight: 273.71604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)N)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)N)Cl

InChI

InChI=1S/C11H16ClN3O3/c1-3-4-5-15-10(12)9(7(2)14-15)11(17)18-6-8(13)16/h3-6H2,1-2H3,(H2,13,16)