2-(3-bromophenyl)-3-(4-methylphenyl)-3-oxidanylidene-propanenitrile

Systemtic Name: 2-(3-bromophenyl)-3-(4-methylphenyl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(3-bromophenyl)-3-oxo-3-(p-tolyl)propanenitrile CAS Name: 2-(3-bromophenyl)-3-(4-methylphenyl)-3-oxopropanenitrile IUPAC Name: 2-(3-bromophenyl)-3-(4-methylphenyl)-3-oxopropanenitrile Traditional Name: 2-(3-bromophenyl)-3-keto-3-(p-tolyl)propionitrile Formula: C16H12BrNO MolecularWeight: 314.17658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrNO/c1-11-5-7-12(8-6-11)16(19)15(10-18)13-3-2-4-14(17)9-13/h2-9,15H,1H3