4-[(2S,3S,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-2-yl]benzenecarbonitrile

Systemtic Name: 4-[(2S,3S,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-2-yl]benzenecarbonitrile Openeye Name: 4-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]benzonitrile CAS Name: 4-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]benzonitrile IUPAC Name: 4-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]benzonitrile Traditional Name: 4-[(2S,3S,4R,5R)-3,4-dihydroxy-5-methylol-pyrrolidin-2-yl]benzonitrile Formula: C12H14N2O3 MolecularWeight: 234.25116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2C(C(C(N2)CO)O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)[C@H]2[C@@H]([C@@H]([C@H](N2)CO)O)O

InChI

InChI=1S/C12H14N2O3/c13-5-7-1-3-8(4-2-7)10-12(17)11(16)9(6-15)14-10/h1-4,9-12,14-17H,6H2/t9-,10+,11-,12+/m1/s1