3-[4-(6-nitropyridin-3-yl)piperazin-1-yl]propanenitrile

Systemtic Name: 3-[4-(6-nitropyridin-3-yl)piperazin-1-yl]propanenitrile Openeye Name: 3-[4-(6-nitro-3-pyridyl)piperazin-1-yl]propanenitrile CAS Name: 3-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]propanenitrile IUPAC Name: 3-[4-(6-nitropyridin-3-yl)piperazin-1-yl]propanenitrile Traditional Name: 3-[4-(6-nitro-3-pyridyl)piperazino]propionitrile Formula: C12H15N5O2 MolecularWeight: 261.2798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)C2=CN=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCC#N)C2=CN=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H15N5O2/c13-4-1-5-15-6-8-16(9-7-15)11-2-3-12(14-10-11)17(18)19/h2-3,10H,1,5-9H2