[(1S)-2-oxidanylidenecyclohexyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [(1S)-2-ketocyclohexyl] ester Formula: C17H17ClN2O3 MolecularWeight: 332.78148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC2CCCCC2=O)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)O[C@H]2CCCCC2=O)Cl)C3=CC=CC=C3

InChI

InChI=1S/C17H17ClN2O3/c1-11-15(17(22)23-14-10-6-5-9-13(14)21)16(18)20(19-11)12-7-3-2-4-8-12/h2-4,7-8,14H,5-6,9-10H2,1H3/t14-/m0/s1