3-(4-bromophenyl)-2-(2-methoxy-5-methyl-phenyl)-3-oxidanylidene-propanenitrile

Systemtic Name: 3-(4-bromophenyl)-2-(2-methoxy-5-methyl-phenyl)-3-oxidanylidene-propanenitrile Openeye Name: 3-(4-bromophenyl)-2-(2-methoxy-5-methyl-phenyl)-3-oxo-propanenitrile CAS Name: 3-(4-bromophenyl)-2-(2-methoxy-5-methylphenyl)-3-oxopropanenitrile IUPAC Name: 3-(4-bromophenyl)-2-(2-methoxy-5-methylphenyl)-3-oxopropanenitrile Traditional Name: 3-(4-bromophenyl)-3-keto-2-(2-methoxy-5-methyl-phenyl)propionitrile Formula: C17H14BrNO2 MolecularWeight: 344.20256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(C#N)C(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C(C#N)C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H14BrNO2/c1-11-3-8-16(21-2)14(9-11)15(10-19)17(20)12-4-6-13(18)7-5-12/h3-9,15H,1-2H3