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

Systemtic Name: 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Openeye Name: 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolecarboxylate IUPAC Name: 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Traditional Name: 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylate Formula: C9H12ClN2O2- MolecularWeight: 215.65678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)[O-])Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)[O-])Cl)CC(C)C

InChI

InChI=1S/C9H13ClN2O2/c1-5(2)4-12-8(10)7(9(13)14)6(3)11-12/h5H,4H2,1-3H3,(H,13,14)/p-1