3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzenecarbonitrile

Systemtic Name: 3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzenecarbonitrile Openeye Name: 3-nitro-4-[4-(2-pyridyl)piperazin-1-yl]benzonitrile CAS Name: 3-nitro-4-[4-(2-pyridinyl)-1-piperazinyl]benzonitrile IUPAC Name: 3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzonitrile Traditional Name: 3-nitro-4-[4-(2-pyridyl)piperazino]benzonitrile Formula: C16H15N5O2 MolecularWeight: 309.3226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C#N)[N+](=O)[O-])C3=CC=CC=N3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C#N)[N+](=O)[O-])C3=CC=CC=N3

InChI

InChI=1S/C16H15N5O2/c17-12-13-4-5-14(15(11-13)21(22)23)19-7-9-20(10-8-19)16-3-1-2-6-18-16/h1-6,11H,7-10H2