3-[(3S,4R)-4-nitro-1-(phenylmethyl)pyrrolidin-3-yl]benzenecarbonitrile

Systemtic Name: 3-[(3S,4R)-4-nitro-1-(phenylmethyl)pyrrolidin-3-yl]benzenecarbonitrile Openeye Name: 3-[(3S,4R)-1-benzyl-4-nitro-pyrrolidin-3-yl]benzonitrile CAS Name: 3-[(3S,4R)-4-nitro-1-(phenylmethyl)-3-pyrrolidinyl]benzonitrile IUPAC Name: 3-[(3S,4R)-1-benzyl-4-nitropyrrolidin-3-yl]benzonitrile Traditional Name: 3-[(3S,4R)-1-benzyl-4-nitro-pyrrolidin-3-yl]benzonitrile Formula: C18H17N3O2 MolecularWeight: 307.34648

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CN1CC2=CC=CC=C2)[N+](=O)[O-])C3=CC=CC(=C3)C#N

Isomeric SMILES

C1[C@@H]([C@H](CN1CC2=CC=CC=C2)[N+](=O)[O-])C3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H17N3O2/c19-10-15-7-4-8-16(9-15)17-12-20(13-18(17)21(22)23)11-14-5-2-1-3-6-14/h1-9,17-18H,11-13H2/t17-,18+/m1/s1