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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=CC=CC=C3Cl

InChI

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