(2R)-2-(6-methyl-2-nitro-pyridin-3-yl)oxy-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one

Systemtic Name: (2R)-2-(6-methyl-2-nitro-pyridin-3-yl)oxy-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one Openeye Name: (2R)-1-(4-benzyl-1-piperidyl)-2-[(6-methyl-2-nitro-3-pyridyl)oxy]propan-1-one CAS Name: (2R)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-1-[4-(phenylmethyl)-1-piperidinyl]-1-propanone IUPAC Name: (2R)-1-(4-benzylpiperidin-1-yl)-2-(6-methyl-2-nitropyridin-3-yl)oxypropan-1-one Traditional Name: (2R)-1-(4-benzylpiperidino)-2-[(6-methyl-2-nitro-3-pyridyl)oxy]propan-1-one Formula: C21H25N3O4 MolecularWeight: 383.4409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)OC(C)C(=O)N2CCC(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(C=C1)O[C@H](C)C(=O)N2CCC(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4/c1-15-8-9-19(20(22-15)24(26)27)28-16(2)21(25)23-12-10-18(11-13-23)14-17-6-4-3-5-7-17/h3-9,16,18H,10-14H2,1-2H3/t16-/m1/s1