3-methyl-5-[(E)-4-oxidanylidenebut-2-enyl]-1,2,4-trioxolane-3-carbonitrile

Systemtic Name: 3-methyl-5-[(E)-4-oxidanylidenebut-2-enyl]-1,2,4-trioxolane-3-carbonitrile Openeye Name: 3-methyl-5-[(E)-4-oxobut-2-enyl]-1,2,4-trioxolane-3-carbonitrile CAS Name: 3-methyl-5-[(E)-4-oxobut-2-enyl]-1,2,4-trioxolane-3-carbonitrile IUPAC Name: 3-methyl-5-[(E)-4-oxobut-2-enyl]-1,2,4-trioxolane-3-carbonitrile Traditional Name: 5-[(E)-4-ketobut-2-enyl]-3-methyl-1,2,4-trioxolane-3-carbonitrile Formula: C8H9NO4 MolecularWeight: 183.16136

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(OO1)CC=CC=O)C#N

Isomeric SMILES

CC1(OC(OO1)C/C=C/C=O)C#N

InChI

InChI=1S/C8H9NO4/c1-8(6-9)11-7(12-13-8)4-2-3-5-10/h2-3,5,7H,4H2,1H3/b3-2+