4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-nitro-benzene-1,2-dicarbonitrile

Systemtic Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-nitro-benzene-1,2-dicarbonitrile Openeye Name: 4-[(3S,5S)-3,5-dimethyl-1-piperidyl]-5-nitro-phthalonitrile CAS Name: 4-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-5-nitrobenzene-1,2-dicarbonitrile IUPAC Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile Traditional Name: 4-[(3S,5S)-3,5-dimethylpiperidino]-5-nitro-phthalonitrile Formula: C15H16N4O2 MolecularWeight: 284.31314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O2/c1-10-3-11(2)9-18(8-10)14-4-12(6-16)13(7-17)5-15(14)19(20)21/h4-5,10-11H,3,8-9H2,1-2H3/t10-,11-/m0/s1