1-[3-nitro-1-(phenylmethyl)piperidin-4-yl]propan-2-one

Systemtic Name: 1-[3-nitro-1-(phenylmethyl)piperidin-4-yl]propan-2-one Openeye Name: 1-(1-benzyl-3-nitro-4-piperidyl)propan-2-one CAS Name: 1-[3-nitro-1-(phenylmethyl)-4-piperidinyl]-2-propanone IUPAC Name: 1-(1-benzyl-3-nitropiperidin-4-yl)propan-2-one Traditional Name: 1-(1-benzyl-3-nitro-4-piperidyl)acetone Formula: C15H20N2O3 MolecularWeight: 276.3309

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1CCN(CC1[N+](=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

CC(=O)CC1CCN(CC1[N+](=O)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C15H20N2O3/c1-12(18)9-14-7-8-16(11-15(14)17(19)20)10-13-5-3-2-4-6-13/h2-6,14-15H,7-11H2,1H3