2-(2-chloranyl-3-methoxy-4-methylsulfonyl-phenyl)carbonyl-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(2-chloranyl-3-methoxy-4-methylsulfonyl-phenyl)carbonyl-3-oxidanylidene-butanenitrile Openeye Name: 2-(2-chloro-3-methoxy-4-methylsulfonyl-benzoyl)-3-oxo-butanenitrile CAS Name: 2-[(2-chloro-3-methoxy-4-methylsulfonylphenyl)-oxomethyl]-3-oxobutanenitrile IUPAC Name: 2-(2-chloro-3-methoxy-4-methylsulfonylbenzoyl)-3-oxobutanenitrile Traditional Name: 2-(2-chloro-4-mesyl-3-methoxy-benzoyl)-3-keto-butyronitrile Formula: C13H12ClNO5S MolecularWeight: 329.75608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClNO5S/c1-7(16)9(6-15)12(17)8-4-5-10(21(3,18)19)13(20-2)11(8)14/h4-5,9H,1-3H3