5-nitro-2-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 5-nitro-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]benzonitrile CAS Name: 5-nitro-2-[4-(1-phenyl-5-tetrazolyl)-1-piperazinyl]benzonitrile IUPAC Name: 5-nitro-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]benzonitrile Traditional Name: 5-nitro-2-[4-(1-phenyltetrazol-5-yl)piperazino]benzonitrile Formula: C18H16N8O2 MolecularWeight: 376.37204

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C18H16N8O2/c19-13-14-12-16(26(27)28)6-7-17(14)23-8-10-24(11-9-23)18-20-21-22-25(18)15-4-2-1-3-5-15/h1-7,12H,8-11H2