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

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 5-chloranyl-1-[(2-chlorophenyl)methyl]-3-methyl-pyrazole-4-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-4-pyrazolecarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylate Traditional Name: 5-chloro-1-(2-chlorobenzyl)-3-methyl-pyrazole-4-carboxylic acid [(1S)-2-ketocyclohexyl] ester Formula: C18H18Cl2N2O3 MolecularWeight: 381.25312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC2CCCCC2=O)Cl)CC3=CC=CC=C3Cl

Isomeric SMILES

CC1=NN(C(=C1C(=O)O[C@H]2CCCCC2=O)Cl)CC3=CC=CC=C3Cl

InChI

InChI=1S/C18H18Cl2N2O3/c1-11-16(18(24)25-15-9-5-4-8-14(15)23)17(20)22(21-11)10-12-6-2-3-7-13(12)19/h2-3,6-7,15H,4-5,8-10H2,1H3/t15-/m0/s1