3-[(E)-4-(4-bromophenyl)-3-oxidanylidene-but-1-enyl]benzenecarbonitrile

Systemtic Name: 3-[(E)-4-(4-bromophenyl)-3-oxidanylidene-but-1-enyl]benzenecarbonitrile Openeye Name: 3-[(E)-4-(4-bromophenyl)-3-oxo-but-1-enyl]benzonitrile CAS Name: 3-[(E)-4-(4-bromophenyl)-3-oxobut-1-enyl]benzonitrile IUPAC Name: 3-[(E)-4-(4-bromophenyl)-3-oxobut-1-enyl]benzonitrile Traditional Name: 3-[(E)-4-(4-bromophenyl)-3-keto-but-1-enyl]benzonitrile Formula: C17H12BrNO MolecularWeight: 326.18728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C=CC(=O)CC2=CC=C(C=C2)Br)C#N

Isomeric SMILES

C1=CC(=CC(=C1)/C=C/C(=O)CC2=CC=C(C=C2)Br)C#N

InChI

InChI=1S/C17H12BrNO/c18-16-7-4-14(5-8-16)11-17(20)9-6-13-2-1-3-15(10-13)12-19/h1-10H,11H2/b9-6+