[2-(2,4-dimethylphenyl)-5-propan-2-yl-pyrazol-3-yl] 3,5-bis(chloranyl)benzoate

Systemtic Name: [2-(2,4-dimethylphenyl)-5-propan-2-yl-pyrazol-3-yl] 3,5-bis(chloranyl)benzoate Openeye Name: [2-(2,4-dimethylphenyl)-5-isopropyl-pyrazol-3-yl] 3,5-dichlorobenzoate CAS Name: 3,5-dichlorobenzoic acid [2-(2,4-dimethylphenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-5-propan-2-ylpyrazol-3-yl] 3,5-dichlorobenzoate Traditional Name: 3,5-dichlorobenzoic acid [2-(2,4-dimethylphenyl)-5-isopropyl-pyrazol-3-yl] ester Formula: C21H20Cl2N2O2 MolecularWeight: 403.3017

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20Cl2N2O2/c1-12(2)18-11-20(25(24-18)19-6-5-13(3)7-14(19)4)27-21(26)15-8-16(22)10-17(23)9-15/h5-12H,1-4H3