(2-oxidanylidenecyclohexyl) 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: (2-oxidanylidenecyclohexyl) 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate Openeye Name: (2-oxocyclohexyl) 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-4-pyrazolecarboxylic acid (2-oxocyclohexyl) ester IUPAC Name: (2-oxocyclohexyl) 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate Traditional Name: 1-(2-chlorobenzyl)pyrazole-4-carboxylic acid (2-ketocyclohexyl) ester Formula: C17H17ClN2O3 MolecularWeight: 332.78148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=CN(N=C2)CC3=CC=CC=C3Cl

Isomeric SMILES

C1CCC(=O)C(C1)OC(=O)C2=CN(N=C2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C17H17ClN2O3/c18-14-6-2-1-5-12(14)10-20-11-13(9-19-20)17(22)23-16-8-4-3-7-15(16)21/h1-2,5-6,9,11,16H,3-4,7-8,10H2