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

Systemtic Name: 5-nitro-2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]benzenecarbonitrile Openeye Name: 5-nitro-2-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]benzonitrile CAS Name: 5-nitro-2-[(2S)-2-(3-pyridinyl)-1-pyrrolidinyl]benzonitrile IUPAC Name: 5-nitro-2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]benzonitrile Traditional Name: 5-nitro-2-[(2S)-2-(3-pyridyl)pyrrolidino]benzonitrile Formula: C16H14N4O2 MolecularWeight: 294.30796

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=CN=CC=C3

Isomeric SMILES

C1C[C@H](N(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=CN=CC=C3

InChI

InChI=1S/C16H14N4O2/c17-10-13-9-14(20(21)22)5-6-16(13)19-8-2-4-15(19)12-3-1-7-18-11-12/h1,3,5-7,9,11,15H,2,4,8H2/t15-/m0/s1