2-[4-chloranyl-2,5-dimethyl-1,3-bis(oxidanylidene)isoindol-2-ium-2-yl]-3-methyl-butanenitrile

Systemtic Name: 2-[4-chloranyl-2,5-dimethyl-1,3-bis(oxidanylidene)isoindol-2-ium-2-yl]-3-methyl-butanenitrile Openeye Name: 2-(4-chloro-2,5-dimethyl-1,3-dioxo-isoindolin-2-ium-2-yl)-3-methyl-butanenitrile CAS Name: 2-(4-chloro-2,5-dimethyl-1,3-dioxo-2-isoindol-2-iumyl)-3-methylbutanenitrile IUPAC Name: 2-(4-chloro-2,5-dimethyl-1,3-dioxoisoindol-2-ium-2-yl)-3-methylbutanenitrile Traditional Name: 2-(4-chloro-1,3-diketo-2,5-dimethyl-isoindolin-2-ium-2-yl)-3-methyl-butyronitrile Formula: C15H16ClN2O2+ MolecularWeight: 291.75274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)[N+](C2=O)(C)C(C#N)C(C)C)Cl

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)[N+](C2=O)(C)C(C#N)C(C)C)Cl

InChI

InChI=1S/C15H16ClN2O2/c1-8(2)11(7-17)18(4)14(19)10-6-5-9(3)13(16)12(10)15(18)20/h5-6,8,11H,1-4H3/q+1