(3,3-dimethyl-2-oxidanylidene-butyl) 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoate CAS Name: 4-(4-chloro-3,5-dimethyl-1-pyrazolyl)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H21ClN2O3 MolecularWeight: 348.82394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)C(C)(C)C)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)C(C)(C)C)C)Cl

InChI

InChI=1S/C18H21ClN2O3/c1-11-16(19)12(2)21(20-11)14-8-6-13(7-9-14)17(23)24-10-15(22)18(3,4)5/h6-9H,10H2,1-5H3