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

Systemtic Name: 2-(4-chloranyl-2-methoxy-3-methylsulfonyl-phenyl)carbonyl-3-cyclopropyl-3-oxidanylidene-propanenitrile Openeye Name: 2-(4-chloro-2-methoxy-3-methylsulfonyl-benzoyl)-3-cyclopropyl-3-oxo-propanenitrile CAS Name: 2-[(4-chloro-2-methoxy-3-methylsulfonylphenyl)-oxomethyl]-3-cyclopropyl-3-oxopropanenitrile IUPAC Name: 2-(4-chloro-2-methoxy-3-methylsulfonylbenzoyl)-3-cyclopropyl-3-oxopropanenitrile Traditional Name: 2-(4-chloro-3-mesyl-2-methoxy-benzoyl)-3-cyclopropyl-3-keto-propionitrile Formula: C15H14ClNO5S MolecularWeight: 355.79336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1S(=O)(=O)C)Cl)C(=O)C(C#N)C(=O)C2CC2

Isomeric SMILES

COC1=C(C=CC(=C1S(=O)(=O)C)Cl)C(=O)C(C#N)C(=O)C2CC2

InChI

InChI=1S/C15H14ClNO5S/c1-22-14-9(5-6-11(16)15(14)23(2,20)21)13(19)10(7-17)12(18)8-3-4-8/h5-6,8,10H,3-4H2,1-2H3