[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 3,5,5-trimethylhexanoate

Systemtic Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 3,5,5-trimethylhexanoate Openeye Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 3,5,5-trimethylhexanoate CAS Name: 3,5,5-trimethylhexanoic acid [5-tert-butyl-2-(4-nitrophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 3,5,5-trimethylhexanoate Traditional Name: 3,5,5-trimethylhexanoic acid [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC1=CC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(C)(C)C)CC(C)(C)C

Isomeric SMILES

CC(CC(=O)OC1=CC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(C)(C)C)CC(C)(C)C

InChI

InChI=1S/C22H31N3O4/c1-15(14-21(2,3)4)12-20(26)29-19-13-18(22(5,6)7)23-24(19)16-8-10-17(11-9-16)25(27)28/h8-11,13,15H,12,14H2,1-7H3