1-[2-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonylpyrazolidin-1-yl]-2-(2-nitrophenoxy)ethanone

Systemtic Name: 1-[2-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonylpyrazolidin-1-yl]-2-(2-nitrophenoxy)ethanone Openeye Name: 1-[2-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)pyrazolidin-1-yl]-2-(2-nitrophenoxy)ethanone CAS Name: 1-[2-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-1-pyrazolidinyl]-2-(2-nitrophenoxy)ethanone IUPAC Name: 1-[2-(5-tert-butyl-2-methylpyrazole-3-carbonyl)pyrazolidin-1-yl]-2-(2-nitrophenoxy)ethanone Traditional Name: 1-[2-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)pyrazolidin-1-yl]-2-(2-nitrophenoxy)ethanone Formula: C20H25N5O5 MolecularWeight: 415.443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN2C(=O)COC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN2C(=O)COC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C20H25N5O5/c1-20(2,3)17-12-15(22(4)21-17)19(27)24-11-7-10-23(24)18(26)13-30-16-9-6-5-8-14(16)25(28)29/h5-6,8-9,12H,7,10-11,13H2,1-4H3