3-[(3aS,7aR)-1-oxidanyl-3-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl]propanenitrile

Systemtic Name: 3-[(3aS,7aR)-1-oxidanyl-3-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl]propanenitrile Openeye Name: 3-[(3aS,7aR)-1-hydroxy-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl]propanenitrile CAS Name: 3-[(3aS,7aR)-1-hydroxy-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl]propanenitrile IUPAC Name: 3-[(3aS,7aR)-1-hydroxy-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl]propanenitrile Traditional Name: 3-[(3aS,7aR)-1-hydroxy-3-keto-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl]propionitrile Formula: C11H16N2O2 MolecularWeight: 208.25694

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(N(C2=O)CCC#N)O

Isomeric SMILES

C1CC[C@H]2[C@@H](C1)C(N(C2=O)CCC#N)O

InChI

InChI=1S/C11H16N2O2/c12-6-3-7-13-10(14)8-4-1-2-5-9(8)11(13)15/h8-10,14H,1-5,7H2/t8-,9+,10?/m1/s1