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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C#N)C(=O)C2=CC=CC=C2Br)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(C#N)C(=O)C2=CC=CC=C2Br)OC

InChI

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