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

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(3-oxidanylpiperidin-1-yl)ethanone Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(3-hydroxy-1-piperidyl)ethanone CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-(3-hydroxy-1-piperidinyl)ethanone IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-(3-hydroxypiperidin-1-yl)ethanone Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(3-hydroxypiperidino)ethanone Formula: C12H18N4O4 MolecularWeight: 282.29572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O4/c1-8-12(16(19)20)9(2)15(13-8)7-11(18)14-5-3-4-10(17)6-14/h10,17H,3-7H2,1-2H3