3-(2-methyl-1-oxidanyl-3-oxidanylidene-isoindol-1-yl)propanenitrile

Systemtic Name: 3-(2-methyl-1-oxidanyl-3-oxidanylidene-isoindol-1-yl)propanenitrile Openeye Name: 3-(1-hydroxy-2-methyl-3-oxo-isoindolin-1-yl)propanenitrile CAS Name: 3-(1-hydroxy-2-methyl-3-oxo-1-isoindolyl)propanenitrile IUPAC Name: 3-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)propanenitrile Traditional Name: 3-(1-hydroxy-3-keto-2-methyl-isoindolin-1-yl)propionitrile Formula: C12H12N2O2 MolecularWeight: 216.23588

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C1(CCC#N)O

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C1(CCC#N)O

InChI

InChI=1S/C12H12N2O2/c1-14-11(15)9-5-2-3-6-10(9)12(14,16)7-4-8-13/h2-3,5-6,16H,4,7H2,1H3