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

Systemtic Name: (2S)-2-(hydroxymethyl)-3-(3-nitro-4-piperidin-1-yl-phenyl)propanenitrile Openeye Name: (2S)-2-(hydroxymethyl)-3-[3-nitro-4-(1-piperidyl)phenyl]propanenitrile CAS Name: (2S)-2-(hydroxymethyl)-3-[3-nitro-4-(1-piperidinyl)phenyl]propanenitrile IUPAC Name: (2S)-2-(hydroxymethyl)-3-(3-nitro-4-piperidin-1-ylphenyl)propanenitrile Traditional Name: (2S)-2-methylol-3-(3-nitro-4-piperidino-phenyl)propionitrile Formula: C15H19N3O3 MolecularWeight: 289.32966

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)CC(CO)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C[C@H](CO)C#N)[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O3/c16-10-13(11-19)8-12-4-5-14(15(9-12)18(20)21)17-6-2-1-3-7-17/h4-5,9,13,19H,1-3,6-8,11H2/t13-/m0/s1