2-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]ethanenitrile

Systemtic Name: 2-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]ethanenitrile Openeye Name: 2-[1-[(3-nitrophenyl)methyl]-4-piperidyl]acetonitrile CAS Name: 2-[1-[(3-nitrophenyl)methyl]-4-piperidinyl]acetonitrile IUPAC Name: 2-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]acetonitrile Traditional Name: 2-[1-(3-nitrobenzyl)-4-piperidyl]acetonitrile Formula: C14H17N3O2 MolecularWeight: 259.30368

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC#N)CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC#N)CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O2/c15-7-4-12-5-8-16(9-6-12)11-13-2-1-3-14(10-13)17(18)19/h1-3,10,12H,4-6,8-9,11H2