2-[(3S)-3-methylpiperidin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(3S)-3-methylpiperidin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(3S)-3-methyl-1-piperidyl]-5-nitro-benzonitrile CAS Name: 2-[(3S)-3-methyl-1-piperidinyl]-5-nitrobenzonitrile IUPAC Name: 2-[(3S)-3-methylpiperidin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[(3S)-3-methylpiperidino]-5-nitro-benzonitrile Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O2/c1-10-3-2-6-15(9-10)13-5-4-12(16(17)18)7-11(13)8-14/h4-5,7,10H,2-3,6,9H2,1H3/t10-/m0/s1