[(3S)-2-oxidanylideneoxolan-3-yl] 3-(2-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] 3-(2-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] 3-(o-tolyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(2-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] 3-(2-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(o-tolyl)-1-phenyl-pyrazole-4-carboxylic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C=C2C(=O)OC3CCOC3=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C=C2C(=O)O[C@H]3CCOC3=O)C4=CC=CC=C4

InChI

InChI=1S/C21H18N2O4/c1-14-7-5-6-10-16(14)19-17(20(24)27-18-11-12-26-21(18)25)13-23(22-19)15-8-3-2-4-9-15/h2-10,13,18H,11-12H2,1H3/t18-/m0/s1