[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 5-chloranyl-1,3-dimethyl-pyrazole-4-carboxylate

Systemtic Name: [2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 5-chloranyl-1,3-dimethyl-pyrazole-4-carboxylate Openeye Name: [2-(4-tert-butylphenyl)-2-oxo-ethyl] 5-chloro-1,3-dimethyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1,3-dimethyl-4-pyrazolecarboxylic acid [2-(4-tert-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylphenyl)-2-oxoethyl] 5-chloro-1,3-dimethylpyrazole-4-carboxylate Traditional Name: 5-chloro-1,3-dimethyl-pyrazole-4-carboxylic acid [2-(4-tert-butylphenyl)-2-keto-ethyl] ester Formula: C18H21ClN2O3 MolecularWeight: 348.82394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)C2=CC=C(C=C2)C(C)(C)C)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)C2=CC=C(C=C2)C(C)(C)C)Cl)C

InChI

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