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

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[3-(hydroxymethyl)-1-piperidyl]ethanone CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-[3-(hydroxymethyl)-1-piperidinyl]ethanone IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(3-methylolpiperidino)ethanone Formula: C13H20N4O4 MolecularWeight: 296.3223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N2CCCC(C2)CO)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N2CCCC(C2)CO)C)[N+](=O)[O-]

InChI

InChI=1S/C13H20N4O4/c1-9-13(17(20)21)10(2)16(14-9)7-12(19)15-5-3-4-11(6-15)8-18/h11,18H,3-8H2,1-2H3