4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[(3S,5S)-3,5-dimethyl-1-piperidyl]-3-nitro-benzonitrile CAS Name: 4-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-3-nitrobenzonitrile IUPAC Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-nitrobenzonitrile Traditional Name: 4-[(3S,5S)-3,5-dimethylpiperidino]-3-nitro-benzonitrile Formula: C14H17N3O2 MolecularWeight: 259.30368

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C#N)[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C2=C(C=C(C=C2)C#N)[N+](=O)[O-])C

InChI

InChI=1S/C14H17N3O2/c1-10-5-11(2)9-16(8-10)13-4-3-12(7-15)6-14(13)17(18)19/h3-4,6,10-11H,5,8-9H2,1-2H3/t10-,11-/m0/s1