4-[4-(4-nitrophenyl)piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-(4-nitrophenyl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzonitrile Formula: C18H16N4O3 MolecularWeight: 336.34464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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