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

Systemtic Name: 2-(2-bromanyl-3-methoxy-4-methylsulfonyl-phenyl)carbonyl-3-cyclopropyl-3-oxidanylidene-propanenitrile Openeye Name: 2-(2-bromo-3-methoxy-4-methylsulfonyl-benzoyl)-3-cyclopropyl-3-oxo-propanenitrile CAS Name: 2-[(2-bromo-3-methoxy-4-methylsulfonylphenyl)-oxomethyl]-3-cyclopropyl-3-oxopropanenitrile IUPAC Name: 2-(2-bromo-3-methoxy-4-methylsulfonylbenzoyl)-3-cyclopropyl-3-oxopropanenitrile Traditional Name: 2-(2-bromo-4-mesyl-3-methoxy-benzoyl)-3-cyclopropyl-3-keto-propionitrile Formula: C15H14BrNO5S MolecularWeight: 400.24436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1Br)C(=O)C(C#N)C(=O)C2CC2)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=CC(=C1Br)C(=O)C(C#N)C(=O)C2CC2)S(=O)(=O)C

InChI

InChI=1S/C15H14BrNO5S/c1-22-15-11(23(2,20)21)6-5-9(12(15)16)14(19)10(7-17)13(18)8-3-4-8/h5-6,8,10H,3-4H2,1-2H3