[(3S)-2-oxidanylideneoxolan-3-yl] 5-(4-chlorophenyl)-2-phenyl-pyrazole-3-carboxylate

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] 5-(4-chlorophenyl)-2-phenyl-pyrazole-3-carboxylate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] 5-(4-chlorophenyl)-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-(4-chlorophenyl)-2-phenyl-3-pyrazolecarboxylic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] 5-(4-chlorophenyl)-2-phenylpyrazole-3-carboxylate Traditional Name: 5-(4-chlorophenyl)-2-phenyl-pyrazole-3-carboxylic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C20H15ClN2O4 MolecularWeight: 382.7971

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1OC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1COC(=O)[C@H]1OC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H15ClN2O4/c21-14-8-6-13(7-9-14)16-12-17(19(24)27-18-10-11-26-20(18)25)23(22-16)15-4-2-1-3-5-15/h1-9,12,18H,10-11H2/t18-/m0/s1