5-nitro-2-(4-pyrrol-1-ylpiperidin-1-yl)benzenecarbonitrile

Systemtic Name: 5-nitro-2-(4-pyrrol-1-ylpiperidin-1-yl)benzenecarbonitrile Openeye Name: 5-nitro-2-(4-pyrrol-1-yl-1-piperidyl)benzonitrile CAS Name: 5-nitro-2-[4-(1-pyrrolyl)-1-piperidinyl]benzonitrile IUPAC Name: 5-nitro-2-(4-pyrrol-1-ylpiperidin-1-yl)benzonitrile Traditional Name: 5-nitro-2-(4-pyrrol-1-ylpiperidino)benzonitrile Formula: C16H16N4O2 MolecularWeight: 296.32384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CN(CCC1N2C=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H16N4O2/c17-12-13-11-15(20(21)22)3-4-16(13)19-9-5-14(6-10-19)18-7-1-2-8-18/h1-4,7-8,11,14H,5-6,9-10H2