(2S)-2-(hydroxymethyl)-3-(5-nitro-2-pyrrolidin-1-yl-phenyl)propanenitrile

Systemtic Name: (2S)-2-(hydroxymethyl)-3-(5-nitro-2-pyrrolidin-1-yl-phenyl)propanenitrile Openeye Name: (2S)-2-(hydroxymethyl)-3-(5-nitro-2-pyrrolidin-1-yl-phenyl)propanenitrile CAS Name: (2S)-2-(hydroxymethyl)-3-[5-nitro-2-(1-pyrrolidinyl)phenyl]propanenitrile IUPAC Name: (2S)-2-(hydroxymethyl)-3-(5-nitro-2-pyrrolidin-1-ylphenyl)propanenitrile Traditional Name: (2S)-2-methylol-3-(5-nitro-2-pyrrolidino-phenyl)propionitrile Formula: C14H17N3O3 MolecularWeight: 275.30308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])CC(CO)C#N

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C[C@H](CO)C#N

InChI

InChI=1S/C14H17N3O3/c15-9-11(10-18)7-12-8-13(17(19)20)3-4-14(12)16-5-1-2-6-16/h3-4,8,11,18H,1-2,5-7,10H2/t11-/m0/s1