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

Systemtic Name: 2-nitro-5-[2-(phenylmethyl)piperidin-1-yl]benzenecarbonitrile Openeye Name: 5-(2-benzyl-1-piperidyl)-2-nitro-benzonitrile CAS Name: 2-nitro-5-[2-(phenylmethyl)-1-piperidinyl]benzonitrile IUPAC Name: 5-(2-benzylpiperidin-1-yl)-2-nitrobenzonitrile Traditional Name: 5-(2-benzylpiperidino)-2-nitro-benzonitrile Formula: C19H19N3O2 MolecularWeight: 321.37306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CC2=CC=CC=C2)C3=CC(=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCN(C(C1)CC2=CC=CC=C2)C3=CC(=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C19H19N3O2/c20-14-16-13-18(9-10-19(16)22(23)24)21-11-5-4-8-17(21)12-15-6-2-1-3-7-15/h1-3,6-7,9-10,13,17H,4-5,8,11-12H2