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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolecarboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Traditional Name: 5-chloro-1-isobutyl-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:

CC1=NN(C(=C1C(=O)OCC(=O)N)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)N)Cl)CC(C)C

InChI

InChI=1S/C11H16ClN3O3/c1-6(2)4-15-10(12)9(7(3)14-15)11(17)18-5-8(13)16/h6H,4-5H2,1-3H3,(H2,13,16)