2-[(2S)-2-methylpiperidin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(2S)-2-methylpiperidin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(2S)-2-methyl-1-piperidyl]-5-nitro-benzonitrile CAS Name: 2-[(2S)-2-methyl-1-piperidinyl]-5-nitrobenzonitrile IUPAC Name: 2-[(2S)-2-methylpiperidin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[(2S)-2-methylpiperidino]-5-nitro-benzonitrile Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C[C@H]1CCCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C13H15N3O2/c1-10-4-2-3-7-15(10)13-6-5-12(16(17)18)8-11(13)9-14/h5-6,8,10H,2-4,7H2,1H3/t10-/m0/s1