1-[3-(hydroxymethyl)piperidin-1-yl]-3-(4-nitroimidazol-1-yl)propan-1-one

Systemtic Name: 1-[3-(hydroxymethyl)piperidin-1-yl]-3-(4-nitroimidazol-1-yl)propan-1-one Openeye Name: 1-[3-(hydroxymethyl)-1-piperidyl]-3-(4-nitroimidazol-1-yl)propan-1-one CAS Name: 1-[3-(hydroxymethyl)-1-piperidinyl]-3-(4-nitro-1-imidazolyl)-1-propanone IUPAC Name: 1-[3-(hydroxymethyl)piperidin-1-yl]-3-(4-nitroimidazol-1-yl)propan-1-one Traditional Name: 1-(3-methylolpiperidino)-3-(4-nitroimidazol-1-yl)propan-1-one Formula: C12H18N4O4 MolecularWeight: 282.29572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCN2C=C(N=C2)[N+](=O)[O-])CO

Isomeric SMILES

C1CC(CN(C1)C(=O)CCN2C=C(N=C2)[N+](=O)[O-])CO

InChI

InChI=1S/C12H18N4O4/c17-8-10-2-1-4-15(6-10)12(18)3-5-14-7-11(13-9-14)16(19)20/h7,9-10,17H,1-6,8H2