2-(4-chloranyl-2-methylsulfonyl-phenyl)carbonyl-4-methyl-3-oxidanylidene-pentanenitrile

Systemtic Name: 2-(4-chloranyl-2-methylsulfonyl-phenyl)carbonyl-4-methyl-3-oxidanylidene-pentanenitrile Openeye Name: 2-(4-chloro-2-methylsulfonyl-benzoyl)-4-methyl-3-oxo-pentanenitrile CAS Name: 2-[(4-chloro-2-methylsulfonylphenyl)-oxomethyl]-4-methyl-3-oxopentanenitrile IUPAC Name: 2-(4-chloro-2-methylsulfonylbenzoyl)-4-methyl-3-oxopentanenitrile Traditional Name: 2-(4-chloro-2-mesyl-benzoyl)-3-keto-4-methyl-valeronitrile Formula: C14H14ClNO4S MolecularWeight: 327.78326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(C#N)C(=O)C1=C(C=C(C=C1)Cl)S(=O)(=O)C

Isomeric SMILES

CC(C)C(=O)C(C#N)C(=O)C1=C(C=C(C=C1)Cl)S(=O)(=O)C

InChI

InChI=1S/C14H14ClNO4S/c1-8(2)13(17)11(7-16)14(18)10-5-4-9(15)6-12(10)21(3,19)20/h4-6,8,11H,1-3H3