3-(2-hydroxyphenyl)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(2-hydroxyphenyl)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]propan-1-one Openeye Name: 3-(2-hydroxyphenyl)-1-[4-(6-nitro-3-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 3-(2-hydroxyphenyl)-1-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(2-hydroxyphenyl)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-(2-hydroxyphenyl)-1-[4-(6-nitro-3-pyridyl)piperazino]propan-1-one Formula: C18H20N4O4 MolecularWeight: 356.3758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)CCC3=CC=CC=C3O

Isomeric SMILES

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)CCC3=CC=CC=C3O

InChI

InChI=1S/C18H20N4O4/c23-16-4-2-1-3-14(16)5-8-18(24)21-11-9-20(10-12-21)15-6-7-17(19-13-15)22(25)26/h1-4,6-7,13,23H,5,8-12H2