(2S)-2-(hydroxymethyl)-3-(3-nitro-4-pyrrolidin-1-yl-phenyl)propanenitrile

Systemtic Name: (2S)-2-(hydroxymethyl)-3-(3-nitro-4-pyrrolidin-1-yl-phenyl)propanenitrile Openeye Name: (2S)-2-(hydroxymethyl)-3-(3-nitro-4-pyrrolidin-1-yl-phenyl)propanenitrile CAS Name: (2S)-2-(hydroxymethyl)-3-[3-nitro-4-(1-pyrrolidinyl)phenyl]propanenitrile IUPAC Name: (2S)-2-(hydroxymethyl)-3-(3-nitro-4-pyrrolidin-1-ylphenyl)propanenitrile Traditional Name: (2S)-2-methylol-3-(3-nitro-4-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)CC(CO)C#N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O3/c15-9-12(10-18)7-11-3-4-13(14(8-11)17(19)20)16-5-1-2-6-16/h3-4,8,12,18H,1-2,5-7,10H2/t12-/m0/s1