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

Systemtic Name: [2-(3-methylphenyl)-5-phenyl-pyrazol-3-yl] 3-chloranyl-2,2-dimethyl-propanoate Openeye Name: [2-(m-tolyl)-5-phenyl-pyrazol-3-yl] 3-chloro-2,2-dimethyl-propanoate CAS Name: 3-chloro-2,2-dimethylpropanoic acid [2-(3-methylphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(3-methylphenyl)-5-phenylpyrazol-3-yl] 3-chloro-2,2-dimethylpropanoate Traditional Name: 3-chloro-2,2-dimethyl-propionic acid [2-(m-tolyl)-5-phenyl-pyrazol-3-yl] ester Formula: C21H21ClN2O2 MolecularWeight: 368.85664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O2/c1-15-8-7-11-17(12-15)24-19(26-20(25)21(2,3)14-22)13-18(23-24)16-9-5-4-6-10-16/h4-13H,14H2,1-3H3