5-nitro-2-[4-(phenylcarbonyl)piperidin-1-yl]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[4-(phenylcarbonyl)piperidin-1-yl]benzenecarbonitrile Openeye Name: 2-(4-benzoyl-1-piperidyl)-5-nitro-benzonitrile CAS Name: 2-(4-benzoyl-1-piperidinyl)-5-nitrobenzonitrile IUPAC Name: 2-(4-benzoylpiperidin-1-yl)-5-nitrobenzonitrile Traditional Name: 2-(4-benzoylpiperidino)-5-nitro-benzonitrile Formula: C19H17N3O3 MolecularWeight: 335.35658

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CN(CCC1C(=O)C2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C19H17N3O3/c20-13-16-12-17(22(24)25)6-7-18(16)21-10-8-15(9-11-21)19(23)14-4-2-1-3-5-14/h1-7,12,15H,8-11H2