2-(2-bromanyl-4-methylsulfonyl-phenyl)carbonyl-3-(1-methylcyclopropyl)-3-oxidanylidene-propanenitrile

Systemtic Name: 2-(2-bromanyl-4-methylsulfonyl-phenyl)carbonyl-3-(1-methylcyclopropyl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(2-bromo-4-methylsulfonyl-benzoyl)-3-(1-methylcyclopropyl)-3-oxo-propanenitrile CAS Name: 2-[(2-bromo-4-methylsulfonylphenyl)-oxomethyl]-3-(1-methylcyclopropyl)-3-oxopropanenitrile IUPAC Name: 2-(2-bromo-4-methylsulfonylbenzoyl)-3-(1-methylcyclopropyl)-3-oxopropanenitrile Traditional Name: 2-(2-bromo-4-mesyl-benzoyl)-3-keto-3-(1-methylcyclopropyl)propionitrile Formula: C15H14BrNO4S MolecularWeight: 384.24496

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1)C(=O)C(C#N)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)Br

Isomeric SMILES

CC1(CC1)C(=O)C(C#N)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)Br

InChI

InChI=1S/C15H14BrNO4S/c1-15(5-6-15)14(19)11(8-17)13(18)10-4-3-9(7-12(10)16)22(2,20)21/h3-4,7,11H,5-6H2,1-2H3