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

Systemtic Name: 5-nitro-2-[4-(phenylcarbonyl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 2-(4-benzoylpiperazin-1-yl)-5-nitro-benzonitrile CAS Name: 2-(4-benzoyl-1-piperazinyl)-5-nitrobenzonitrile IUPAC Name: 2-(4-benzoylpiperazin-1-yl)-5-nitrobenzonitrile Traditional Name: 2-(4-benzoylpiperazino)-5-nitro-benzonitrile Formula: C18H16N4O3 MolecularWeight: 336.34464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O3/c19-13-15-12-16(22(24)25)6-7-17(15)20-8-10-21(11-9-20)18(23)14-4-2-1-3-5-14/h1-7,12H,8-11H2