4-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-yl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-yl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-3-nitro-benzonitrile CAS Name: 4-[4-[2-(4-chlorophenoxy)ethyl]-1-piperazinyl]-3-nitrobenzonitrile IUPAC Name: 4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-3-nitrobenzonitrile Traditional Name: 4-[4-[2-(4-chlorophenoxy)ethyl]piperazino]-3-nitro-benzonitrile Formula: C19H19ClN4O3 MolecularWeight: 386.83216

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCOC2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN4O3/c20-16-2-4-17(5-3-16)27-12-11-22-7-9-23(10-8-22)18-6-1-15(14-21)13-19(18)24(25)26/h1-6,13H,7-12H2