[4-(2-chloranyl-4-nitro-phenyl)carbonyl-2,5-dimethyl-pyrazol-3-yl] 2,2-dimethylpropanoate

Systemtic Name: [4-(2-chloranyl-4-nitro-phenyl)carbonyl-2,5-dimethyl-pyrazol-3-yl] 2,2-dimethylpropanoate Openeye Name: [4-(2-chloro-4-nitro-benzoyl)-2,5-dimethyl-pyrazol-3-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[(2-chloro-4-nitrophenyl)-oxomethyl]-2,5-dimethyl-3-pyrazolyl] ester IUPAC Name: [4-(2-chloro-4-nitrobenzoyl)-2,5-dimethylpyrazol-3-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-(2-chloro-4-nitro-benzoyl)-2,5-dimethyl-pyrazol-3-yl] ester Formula: C17H18ClN3O5 MolecularWeight: 379.79492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC(=O)C(C)(C)C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC(=O)C(C)(C)C)C

InChI

InChI=1S/C17H18ClN3O5/c1-9-13(15(20(5)19-9)26-16(23)17(2,3)4)14(22)11-7-6-10(21(24)25)8-12(11)18/h6-8H,1-5H3