5-ethyl-3-methyl-5-propanoyl-1,2,4-trioxolane-3-carbonitrile

Systemtic Name: 5-ethyl-3-methyl-5-propanoyl-1,2,4-trioxolane-3-carbonitrile Openeye Name: 5-ethyl-3-methyl-5-propanoyl-1,2,4-trioxolane-3-carbonitrile CAS Name: 5-ethyl-3-methyl-5-(1-oxopropyl)-1,2,4-trioxolane-3-carbonitrile IUPAC Name: 5-ethyl-3-methyl-5-propanoyl-1,2,4-trioxolane-3-carbonitrile Traditional Name: 5-ethyl-3-methyl-5-propionyl-1,2,4-trioxolane-3-carbonitrile Formula: C9H13NO4 MolecularWeight: 199.20382

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(OC(OO1)(C)C#N)CC

Isomeric SMILES

CCC(=O)C1(OC(OO1)(C)C#N)CC

InChI

InChI=1S/C9H13NO4/c1-4-7(11)9(5-2)12-8(3,6-10)13-14-9/h4-5H2,1-3H3