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

Systemtic Name: 2-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-3-oxidanylidene-pentanenitrile Openeye Name: 2-(2-chloro-4-methylsulfonyl-benzoyl)-3-oxo-pentanenitrile CAS Name: 2-[(2-chloro-4-methylsulfonylphenyl)-oxomethyl]-3-oxopentanenitrile IUPAC Name: 2-(2-chloro-4-methylsulfonylbenzoyl)-3-oxopentanenitrile Traditional Name: 2-(2-chloro-4-mesyl-benzoyl)-3-keto-valeronitrile Formula: C13H12ClNO4S MolecularWeight: 313.75668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClNO4S/c1-3-12(16)10(7-15)13(17)9-5-4-8(6-11(9)14)20(2,18)19/h4-6,10H,3H2,1-2H3