5-nitro-2-(4-phenylpiperazin-1-yl)benzenecarbonitrile

Systemtic Name: 5-nitro-2-(4-phenylpiperazin-1-yl)benzenecarbonitrile Openeye Name: 5-nitro-2-(4-phenylpiperazin-1-yl)benzonitrile CAS Name: 5-nitro-2-(4-phenyl-1-piperazinyl)benzonitrile IUPAC Name: 5-nitro-2-(4-phenylpiperazin-1-yl)benzonitrile Traditional Name: 5-nitro-2-(4-phenylpiperazino)benzonitrile Formula: C17H16N4O2 MolecularWeight: 308.33454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O2/c18-13-14-12-16(21(22)23)6-7-17(14)20-10-8-19(9-11-20)15-4-2-1-3-5-15/h1-7,12H,8-11H2