1-[2-(2,5-dimethyl-4-nitro-pyrazol-3-yl)carbonylpyrazolidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone

Systemtic Name: 1-[2-(2,5-dimethyl-4-nitro-pyrazol-3-yl)carbonylpyrazolidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone Openeye Name: 1-[2-(2,5-dimethyl-4-nitro-pyrazole-3-carbonyl)pyrazolidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone CAS Name: 1-[2-[(2,5-dimethyl-4-nitro-3-pyrazolyl)-oxomethyl]-1-pyrazolidinyl]-2-(4-methylsulfonylphenyl)ethanone IUPAC Name: 1-[2-(2,5-dimethyl-4-nitropyrazole-3-carbonyl)pyrazolidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone Traditional Name: 1-[2-(2,5-dimethyl-4-nitro-pyrazole-3-carbonyl)pyrazolidin-1-yl]-2-(4-mesylphenyl)ethanone Formula: C18H21N5O6S MolecularWeight: 435.45424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)N2CCCN2C(=O)CC3=CC=C(C=C3)S(=O)(=O)C)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)N2CCCN2C(=O)CC3=CC=C(C=C3)S(=O)(=O)C)C

InChI

InChI=1S/C18H21N5O6S/c1-12-16(23(26)27)17(20(2)19-12)18(25)22-10-4-9-21(22)15(24)11-13-5-7-14(8-6-13)30(3,28)29/h5-8H,4,9-11H2,1-3H3