4-[4-(2-dimethylaminoethyl)piperidin-1-yl]-5-nitro-benzene-1,2-dicarbonitrile

Systemtic Name: 4-[4-(2-dimethylaminoethyl)piperidin-1-yl]-5-nitro-benzene-1,2-dicarbonitrile Openeye Name: 4-[4-(2-dimethylaminoethyl)-1-piperidyl]-5-nitro-phthalonitrile CAS Name: 4-[4-(2-dimethylaminoethyl)-1-piperidinyl]-5-nitrobenzene-1,2-dicarbonitrile IUPAC Name: 4-[4-(2-dimethylaminoethyl)piperidin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile Traditional Name: 4-[4-(2-dimethylaminoethyl)piperidino]-5-nitro-phthalonitrile Formula: C17H21N5O2 MolecularWeight: 327.38094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1CCN(CC1)C2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCC1CCN(CC1)C2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O2/c1-20(2)6-3-13-4-7-21(8-5-13)16-9-14(11-18)15(12-19)10-17(16)22(23)24/h9-10,13H,3-8H2,1-2H3