2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-ethanoylpiperazin-1-yl)ethanone

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-ethanoylpiperazin-1-yl)ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone Traditional Name: 1-(4-acetylpiperazino)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone Formula: C13H19N5O4 MolecularWeight: 309.32106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N2CCN(CC2)C(=O)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N2CCN(CC2)C(=O)C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H19N5O4/c1-9-13(18(21)22)10(2)17(14-9)8-12(20)16-6-4-15(5-7-16)11(3)19/h4-8H2,1-3H3