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

Systemtic Name: 3-nitro-4-[4-(phenylcarbonyl)piperidin-1-yl]benzenecarbonitrile Openeye Name: 4-(4-benzoyl-1-piperidyl)-3-nitro-benzonitrile CAS Name: 4-(4-benzoyl-1-piperidinyl)-3-nitrobenzonitrile IUPAC Name: 4-(4-benzoylpiperidin-1-yl)-3-nitrobenzonitrile Traditional Name: 4-(4-benzoylpiperidino)-3-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)C#N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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