(2R,3R,4S)-4-nitro-1-[(1R)-2-oxidanyl-1-phenyl-ethyl]-3-pyridin-3-yl-pyrrolidine-2-carbonitrile

Systemtic Name: (2R,3R,4S)-4-nitro-1-[(1R)-2-oxidanyl-1-phenyl-ethyl]-3-pyridin-3-yl-pyrrolidine-2-carbonitrile Openeye Name: (2R,3R,4S)-1-[(1R)-2-hydroxy-1-phenyl-ethyl]-4-nitro-3-(3-pyridyl)pyrrolidine-2-carbonitrile CAS Name: (2R,3R,4S)-1-[(1R)-2-hydroxy-1-phenylethyl]-4-nitro-3-(3-pyridinyl)-2-pyrrolidinecarbonitrile IUPAC Name: (2R,3R,4S)-1-[(1R)-2-hydroxy-1-phenylethyl]-4-nitro-3-pyridin-3-ylpyrrolidine-2-carbonitrile Traditional Name: (2R,3R,4S)-1-[(1R)-2-hydroxy-1-phenyl-ethyl]-4-nitro-3-(3-pyridyl)pyrrolidine-2-carbonitrile Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(N1C(CO)C2=CC=CC=C2)C#N)C3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1[C@H]([C@@H]([C@@H](N1[C@@H](CO)C2=CC=CC=C2)C#N)C3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O3/c19-9-15-18(14-7-4-8-20-10-14)16(22(24)25)11-21(15)17(12-23)13-5-2-1-3-6-13/h1-8,10,15-18,23H,11-12H2/t15-,16+,17-,18+/m0/s1