2-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(3-chlorophenyl)piperazino]-5-nitro-benzonitrile Formula: C17H15ClN4O2 MolecularWeight: 342.7796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H15ClN4O2/c18-14-2-1-3-15(11-14)20-6-8-21(9-7-20)17-5-4-16(22(23)24)10-13(17)12-19/h1-5,10-11H,6-9H2