[2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] 3-chloranyl-2,2-dimethyl-propanoate

Systemtic Name: [2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] 3-chloranyl-2,2-dimethyl-propanoate Openeye Name: [2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] 3-chloro-2,2-dimethyl-propanoate CAS Name: 3-chloro-2,2-dimethylpropanoic acid [2-(2,3-dimethylphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(2,3-dimethylphenyl)-5-phenylpyrazol-3-yl] 3-chloro-2,2-dimethylpropanoate Traditional Name: 3-chloro-2,2-dimethyl-propionic acid [2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C22H23ClN2O2 MolecularWeight: 382.88322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=CC(=N2)C3=CC=CC=C3)OC(=O)C(C)(C)CCl)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=CC(=N2)C3=CC=CC=C3)OC(=O)C(C)(C)CCl)C

InChI

InChI=1S/C22H23ClN2O2/c1-15-9-8-12-19(16(15)2)25-20(27-21(26)22(3,4)14-23)13-18(24-25)17-10-6-5-7-11-17/h5-13H,14H2,1-4H3